@article { ISI:000226532000006, title = {Selective synthesis of N,N-dimethyl aniline derivatives using dimethyl carbonate as a methylating agent and onium salt as a catalyst}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {226}, number = {1}, year = {2005}, month = {FEB}, pages = {49-56}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

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

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

}, issn = {0022-3263}, doi = {10.1021/jo0508705}, author = {Baruah, Pranjal K. and Gonnade, Rajesh G. and Phalgune, U. D. and Sanjayan, G. J.} } @article { ISI:000232909100017, title = {Separability of local reactivity descriptors}, journal = {Journal of Chemical Sciences}, volume = {117}, number = {5}, year = {2005}, month = {SEP}, pages = {497-505}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

The size-dependence of different local reactivity descriptors of dimer A(2) and AB type of systems is discussed. We derive analytic results of these descriptors calculated using finite difference approximation. In particular, we studied Fukui functions, relative electrophilicity and relative nucleophilicity, local softness and local philicity. The results are explained using the example of the dimer of BH3NH3.

}, keywords = {condensed Fukai functions, Local reactivity descriptors, molecular interactions, separability}, issn = {0974-3626}, doi = {10.1007/BF02708355}, author = {Tanwar, A and Pal, S} } @article { ISI:000228940600001, title = {Short S=O center dot center dot center dot C=O contacts associate diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoformate in their inclusion complexes}, journal = {Crystal Growth \& Design}, volume = {5}, number = {3}, year = {2005}, month = {MAY}, pages = {833-836}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

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

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

}, keywords = {Chemical synthesis, composites, foam, Intercalation, Nanoparticles}, issn = {0250-4707}, doi = {10.1007/BF02711244}, author = {Mandal, Sujata and Arumugam, S. K. and Pasricha, R. and Sastry, M.} } @article { ISI:000231719800006, title = {Simple and practical approach to enantiomerically pure (S)-3-hydroxy-gamma-butyrolactone: synthesis of (R)-4-cyano-3-hydroxybutyric acid ethyl ester}, journal = {Tetrahedron-Symmetry}, volume = {16}, number = {16}, year = {2005}, month = {AUG}, pages = {2717-2721}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The oxidation of alpha- or beta-(1,4) linked disaccharides or oligosaccharides with cumene hydroperoxide in the presence of a base gave (S)-3,4-dihydroxybutyic acid, which was cyclized under acidic conditions to furnish (S)-3-hydroxy-gamma-butyrolactone. This was subsequently converted into (R)-cyano-3-hydroxybutyric acid ethyl ester, an intermediate for statin based drugs and other related compounds. (c) 2005 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2005.07.012}, author = {Kumar, P. and Deshmukh, A. N. and Upadhyay, R. K. and Gurjar, M. K.} } @article { ISI:000228267300014, title = {Simple, concise, stereocontrolled synthesis of (8E,10Z)-pentadecadien-1-ol acetate}, journal = {Synthetic Communications}, volume = {35}, number = {7}, year = {2005}, month = {AUG}, pages = {987-994}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A simple, concise, and stereocontrolled synthesis of (8E, 10Z)-pentadecadien-l -ol acetate involving a Cadiot-Chodkiewicz reaction as the key step is described.

}, keywords = {acetate, Acrobasis vaccini, Cadiot-Chodkiewicz reaction, diacetylene, Pheromone}, issn = {0039-7911}, doi = {10.1081/SCC-200051715}, author = {Chavan, Subhash P. and Kharul, Rajendra K. and Kamat, Subhash K. and Kalkote, Uttam R. and Kale, R. R.} } @article { ISI:000227321500008, title = {Simple oxalate precursor route for the preparation of barium-strontium titanate: Ba1-xSrxTiO3 powders}, journal = {Materials Characterization}, volume = {54}, number = {1}, year = {2005}, month = {JAN}, pages = {63-74}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

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

}, keywords = {barium-strontium titanate, barium-strontium titanyl oxalate, permittivity, XRF}, issn = {1044-5803}, doi = {10.1016/j.matchar.2004.11.002}, author = {Khollam, Y. B. and Deshpande, S. B. and Potdar, H. S. and Bhoraskar, S. V. and Sainkar, S. R. and Date, Sadgopal K.} } @article {43219, title = {Simple procedure for the synthesis of gamma-hydroxy-alpha,beta-(E)-alkenoic esters: formal synthesis of (+)-macrosphelides A and B}, journal = {Tetrahedron Letters}, volume = {46}, year = {2005}, month = {MAR}, pages = {2287-2290}, abstract = {A highly trans-selective conjugate reduction of 7-hydroxy-alpha,beta-alkynoic esters to produce gamma-hydroxy-alpha,beta-(E)-alkenoic esters using LiAlH4 is reported. The application of this methodology is demonstrated by a formal synthesis of the potent cell-cell adhesion inhibitors (+)-macrosphelides A and B. (c) 2005 Elsevier Ltd. All rights reserved.}, author = {Rao, K. Srinivasa and Mukkanti, K. and Reddy, D. Srinivasa and Pal, Manojit and Lqbal, Javed} } @article { ISI:000229376400004, title = {Simple synthesis of (+/-)-sarkomycin}, journal = {Synthesis-Stuttgart}, number = {8}, year = {2005}, month = {MAY}, pages = {1234-1236}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A facile 6-step route to (+/-)-sarkomycin in 17\% overall yield has been described via Michael addition of nitromethane to 2-hydroxymethyl-2-cyclopentenone, oxone-induced oxidative Nef reaction, and acid catalyzed dehydration.

}, keywords = {(+/-)-sarkomycin synthesis, 2-hydroxymethyl-2-cyclopentenone, Michael addition, nitromethane., oxidative Nef reaction, Oxone}, issn = {0039-7881}, doi = {10.1055/s-2005-861877}, author = {Kar, Anirban and N. P. Argade} } @article { ISI:000229376400013, title = {Simplistic expedient and practical synthesis of (+/-)-alpha-lipoic acid}, journal = {Synthesis-Stuttgart}, number = {8}, year = {2005}, month = {MAY}, pages = {1297-1300}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

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

}, keywords = {alpha-chloroesters, alpha-lipoic acid, Ozonolysis, Reformatsky reaction}, issn = {0039-7881}, doi = {10.1055/s-2005-861867}, author = {Chavan, Subhash P. and Shivsankar, K. and Pasupathy, K.} } @article { ISI:000230521800024, title = {Simultaneous conversion of methane and methanol into gasoline over bifunctional Ga-, Zn-, In-, and/or Mo-modified ZSM-5 zeolites}, journal = {Angewandte Chemie-International Edition}, volume = {44}, number = {28}, year = {2005}, month = {JUN}, pages = {4381-4385}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, keywords = {gallium, heterogeneuos catalysis, methane activation, Molybdenum, zeolites}, issn = {1433-7851}, doi = {10.1002/anie.200500694}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Mulla, Shafeek Abdul Rashid} } @article { ISI:000231534100002, title = {On the single-root approach within the framework of coupled-cluster theory in fock space}, journal = {Chemical Physics}, volume = {315}, number = {3}, year = {2005}, month = {AUG}, pages = {240-250}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2005.03.020}, author = {Horny, L and Schaefer, HF and Hubac, I and Pal, S} } @article { ISI:000232736400034, title = {Sodium methylsulfinylmethylide: a versatile reagent}, journal = {Synlett}, number = {17}, year = {2005}, month = {OCT}, pages = {2697-2698}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, issn = {0936-5214}, doi = {10.1055/s-2005-917075}, author = {Mondal, Mukulesh} } @article { ISI:000226614200005, title = {Solvent-adaptable silver nanoparticles}, journal = {Langmuir}, volume = {21}, number = {3}, year = {2005}, month = {FEB}, pages = {822-826}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0743-7463}, doi = {10.1021/la047707+}, author = {Bhagavatula L. V. Prasad and Arumugam, S. K. and Bala, Tanushree and Sastry, M.} } @article { ISI:000227895500014, title = {(SR/RS)-cyclohexanyl PNAs: conformationally preorganized PNA analogues with unprecedented preference for duplex formation with RNA}, journal = {Journal of the American Chemical Society}, volume = {127}, number = {12}, year = {2005}, month = {MAR}, pages = {4144-4145}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0002-7863}, doi = {10.1021/ja044142v}, author = {Govindaraju, T and Kumar, VA and Ganesh, Krishna N.} } @article { ISI:000229484600033, title = {Stereoselective syntheses of (+)-alpha- and (-)-beta-conhydrine from L-aspartic acid}, journal = {Tetrahedron Letters}, volume = {46}, number = {23}, year = {2005}, month = {JUN}, pages = {4091-4093}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of (+)-alpha-conhydrine 1 and (-)-beta-conhydrine 2 has been achieved by. diastereo selective alkylation of an amino aldehyde derivative 7 with ethylmagnesium bromide or diethylzinc. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Alkylation, conhydrine, Grignard reaction, Piperidine alkaloids, stereoselectivity}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.04.013}, author = {Pandey, SK and Kumar, P} } @article { ISI:000231406400013, title = {Stereoselective syntheses of (+)-proto, (-)-gala quercitols and carba-L-rhamnose from D-(-)-quinic acid}, journal = {Tetrahedron Letters}, volume = {46}, number = {37}, year = {2005}, month = {SEP}, pages = {6235-6238}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Efficient syntheses of (+)-proto, (-)-gala quercitols and carba-L-rhamnose front D-(-)-quinic acid are described. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {(+)-proto quercitol, (-)-gala quercitol, carba-L-rhamnose, cyclohexanepentols, D-(-)-quinic acid, stereoselectivity}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.07.052}, author = {Murugan, A. Vadivel and Yadav, A. K. and Gurjar, M. K.} } @article { ISI:000227833600014, title = {Stereoselective synthesis of (2R, 3S, 22R, 23E)-6, 6-ethylenedioxy-22-hydroxy-2, 3-isopropylidenedioxy-24-methyl-5 alpha-cholest-23-ene: An intermediate for the synthesis of castasterone, dolichosterone and brassinolide}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {44}, number = {3}, year = {2005}, month = {MAR}, pages = {611-614}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, issn = {0376-4699}, author = {Hazra, Braja G. and Kumar, T. P. and Pore, V. S.} } @article { ISI:000227508600006, title = {Stereoselective synthesis of (2S,7S)-7-(4-phenoxymethyl)2-(1-N-hydroxyureidyl-3-butyn-4-yl)oxepane: a potential anti-asthmatic drug candidate}, journal = {Tetrahedron-Asymmetry}, volume = {16}, number = {5}, year = {2005}, month = {MAR}, pages = {935-939}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We have achieved a short, efficient stereoselective synthesis of 7-membered oxepane derivatives with potential against asthma. Highlights of our synthetic strategy are regioselective oxidation of a hydroxyl group and efficient ring closure of an open chain aldehyde to a 2-benzenesulfonyl oxepane derivative with PhSO2H. Surprisingly the cis-isomer showed better activity than the traps-isomer. (C) 2005 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2005.01.024}, author = {Gurjar, M. K. and Rao, B. V. and Krishna, L. M. and Chorghade, Mukund S. and Ley, S. V.} } @article { ISI:000227506100040, title = {Stereoselective synthesis of (+)-boronolide}, journal = {Tetrahedron Letters}, volume = {46}, number = {12}, year = {2005}, month = {MAR}, pages = {2129-2131}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient enantio- and stereocontrolled total synthesis of (+)-boronolide from valeralclehyde is described. The key steps include a Sharpless asymmetric dihydroxylation, a chelation controlled Grignard reaction followed by Sharpless asymmetric epoxidation and a ring closing metathesis. (C) 2005 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.01.120}, author = {Naidu, SV and Gupta, P and Kumar, P} } @article { ISI:000227411400039, title = {Stereoselective synthesis of (-)-microcarpalide}, journal = {Tetrahedron Letters}, volume = {46}, number = {11}, year = {2005}, month = {MAR}, pages = {1939-1941}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A highly convergent and efficient synthesis of (-)-microcarpalide, a 10-membered lactone displaying remarkable microfilament disrupting activity is described. Ring-closing metathesis and Sharpless asymmetric dihydroxylations are the key steps. Our strategy highlights the application of novel hydroxy lactone precursors for the stereoselective synthesis of (-)-microcarpalide. (C) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {4-diol, cis-2-butene-1, Claisen ortho ester rearrangement, microcarpalide, Ring-closing metathesis, sharpless asymmetric dihydroxylation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.01.052}, author = {Chavan, Subhash P. and Praveen, C.} } @article { ISI:000230685900019, title = {Stereoselective synthesis of spiroannulated cyclopentenones by the Pauson-Khand reaction on carbohydrate derived enynes}, journal = {Tetrahedron Letters}, volume = {46}, number = {32}, year = {2005}, month = {AUG}, pages = {5329-5332}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The stereoselective synthesis of spiroannulated cyclopentenones by the Pauson-Khand reactions on hexose and pentose derived enynes was achieved under carbon monoxide free conditions using a stoichiometric quantity of Co-2(CO)(8). The cobalt complex of the alkyne was cleaved using dimethoxyethane-acetonitrile at 85 degrees C to furnish spiroarmulated cyclopentenones in 75-94\% yields. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {carbohydrates, cyclopentenone, diversity oriented synthesis, Pauson-Khand reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.06.013}, author = {Hotha, Srinivas and Maurya, S. K. and Gurjar, M. K.} } @article { ISI:000230879600018, title = {Stereoselectivity ratios in a simple Diels-Alder reaction in aqueous salt solutions of alcohols}, journal = {Tetrahedron}, volume = {61}, number = {33}, year = {2005}, month = {AUG}, pages = {8025-8030}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

This is the first exhaustive report on the variation of stereoselectivity ratios for a simple Diels-Alder reaction between cyclopentadiene and methyl acrylate. The reaction was carried out in aqueous mixtures of methanol, ethanol, propan-1-ol and butan-1-ol in presence of LiClO4, LiCl, NaCl, KCl, CaCl2 and MgCl2. The endo sterecisomer decreases with the increase in carbon chain length of the alcohol. However, LiClO4, a salting-in agent in water becomes salting-out in aqueous mixtures of alcohols. The solvent properties, thus can be attuned by adjusting the amount of solvents and salts. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {aqueous alcohols, Diels-Alder reaction, endolexo ratios, salts}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.06.010}, author = {Deshpande, Suvarna S. and Kumar, Anil} } @article { ISI:000231294400029, title = {Stereospecific route to 5,11-methanomorphanthridine alkaloids via intramolecular 1,3-dipolar cycloaddition of nonstabilized azomethine ylide: Formal total synthesis of (+/-)-pancracine}, journal = {Organic Letters}, volume = {7}, number = {17}, year = {2005}, month = {AUG}, pages = {3713-3716}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

[GRAPHICS] The core structure of the complex pentacyclic 5,11-methanomorphanthridine alkaloids is constructed stereospecifically in one step employing an intramolecular [3 + 2]-cycloaddition of nonstabilized azomethine ylide as the key step. The strategy is demonstrated by accomplishing the formal total synthesis of (+/-)-pancracine.

}, issn = {1523-7060}, doi = {10.1021/ol051321o}, author = {Pandey, Ganesh and Banerjee, Prabal and Kumar, Ravindra and Puranik, Vedavati G.} } @article {42826, title = {Stochastic model for first order reaction networks}, journal = {Bulletin of Mathematical Biology}, volume = {67}, year = {2005}, month = {SEP}, pages = {901{\textendash}946}, type = {Article}, abstract = {

A stochastic model for a general system of first-order reactions in which each reaction may be either a conversion reaction or a catalytic reaction is derived. The governing master equation is formulated in a manner that explicitly separates the effects of network topology from other aspects, and the evolution equations for the first two moments are derived. We find the surprising, and apparently unknown, result that the time evolution of the second moments can be represented explicitly in terms of the eigenvalues and projections of the matrix that governs the evolution of the means. The model is used to analyze the effects of network topology and the reaction type on the moments of the probability distribution. In particular, it is shown that for an open system of first-order conversion reactions, the distribution of all the system components is a Poisson distribution at steady state. Two different measures of the noise have been used previously, and it is shown that different qualitative and quantitative conclusions can result, depending on which measure is used. The effect of catalytic reactions on the variance of the system components is also analyzed, and the master equation for a coupled system of first-order reactions and diffusion is derived.

}, doi = {10.1016/j.bulm.2004.09.009}, author = {Gadgil, Chetan J. and Lee, Chang Hyeong and Othmer, Hans G.} } @article { ISI:000228412500017, title = {Structural rationalisation of co-crystals formed between trithiocyanuric acid and molecules containing hydrogen bonding functionality}, journal = {Chemistry - A European Journal}, volume = {11}, number = {8}, year = {2005}, note = {Symposium on Chemistry-A European Conference - Stimulating Concepts in Chemistry, Inst Sci Ingenierie Supramoleculaires, Strasbourg, FRANCE, APR 15, 2005}, month = {APR}, pages = {2433-2439}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Crystallisation of trithiocyanuric acid (TTCA) from various organic solvents that have hydrogen bonding capability (acetone, 2-butanone, dimethylformamide, dimethyl sulfoxide, methanol and acetonitrile) leads to the formation of co-crystals in which the solvent molecules are incorporated together with TTCA in the crystal structure. Structure determination by single-crystal X-ray diffraction reveals that these co-crystals can be classified into different groups depending upon the topological arrangement of the TTCA molecules in the crystal structure. Thus, three different types of single-tape arrangements of TTCA molecules and one type of double-tape arrangement of TTCA molecules are identified. In all co-crystals, hydrogen-bonding interactions are formed through the involvement of N-H bonds of TTCA molecules in these tapes and the other molecule in the co-crystal. Detailed rationalisation of the structural properties of these co-crystals is presented.

}, keywords = {crystal engineering, hydrogen bonds, nitrogen heterocycles, structure elucidation}, issn = {0947-6539}, doi = {10.1002/chem.200400340}, author = {Ahn, Sung-Hoon and PrakashaReddy, J. and Kariuki, B. M. and Chatterjee, S. and Ranganathan, A. and Pedireddi, V. R. and Rao, C. N. R. and Harris, Kenneth D. M.} } @article { ISI:000228765100019, title = {Structure of poly(L-lactic acid)s prepared by the dehydropolycondensation of L-lactic acid with organotin catalysts}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {43}, number = {10}, year = {2005}, month = {MAY}, pages = {2164-2177}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

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

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

}, keywords = {Crystallization, DSC, mechanical and thermal properties, nano CaCO3, polypropylene, XRD}, issn = {0887-6266}, doi = {10.1002/polb.20296}, author = {Mishra, Satyendra and Sonawane, S. H. and Singh, R. P.} } @article { ISI:000231458500048, title = {Studies on conducting polymer electroactive paper actuators: effect of humidity and electrode thickness}, journal = {Smart Materials \& Structures}, volume = {14}, number = {4}, year = {2005}, month = {AUG}, pages = {876-880}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Actuators based on cellulose paper with conducting polymer (CP-EAPap) as an electrode material were constructed. The bilayer and trilayer types of actuators were fabricated by depositing conducting polypyrrole on one side and two sides of cellophane paper respectively, which was previously gold coated. By varying the deposition time, the electrode thickness was manipulated. The performance of these two types of actuators was compared with respect to humidity changes and thickness variation. The electrode thickness plays a key role in the displacement behavior of these types of actuators. The best performance at higher humidity is also characteristic of CP-EAPap actuators. The possible mechanism of actuation is addressed in this paper.

}, issn = {0964-1726}, doi = {10.1088/0964-1726/14/4/048}, author = {Deshpande, S. D. and Kim, Jaehwan and Yun, Sung-Ryul} } @article { ISI:000233833100010, title = {Studies on effect of silane coupling agent on the mechanical properties of clay filled natural rubber}, journal = {Journal of the Indian Chemical Society}, volume = {82}, number = {11}, year = {2005}, month = {NOV}, pages = {985-988}, publisher = {INDIAN CHEMICAL SOC}, type = {Article}, address = {92 ACHARYA PRAFULLA CHANDRA RD ATTN:DR INDRAJIT KAR/EXEC SEC, CALCUTTA 700009, INDIA}, abstract = {

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

}, issn = {0019-4522}, author = {Alkadasi, N. A. N. and Sarwade, B. D. and Kapadi, U. R. and Hundiwale, D. G.} } @article { ISI:000226466700032, title = {Studies on the crystallization behavior of nylon-6 in the presence of layered silicates using variable temperature WAXS and FTIR}, journal = {Macromolecules}, volume = {38}, number = {2}, year = {2005}, month = {JAN}, pages = {454-462}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The crystallization of nylon-6 clay nanocomposite was studied by variable temperature wide-angle X-ray scattering (WAXS) and Fourier transform infrared spectroscopy (FTIR). Nylon-6 was found to crystallize into gamma phase at 210 degreesC, as indicated by its characteristic peaks in WAXS. However, an additional peak was observed close but on the lower angle side of the main gamma phase peak, indicating the presence of a metastable phase. The extent of metastable phase that developed was dictated by the clay content in the nanocomposite as well as the crystallization conditions. The temperature dependence of the d spacing of the gamma phase obtained in the presence of clay layers showed difference from the gamma phase obtained by treating nylon-6 in KI/I-2 solution. Variable temperature FTIR studies were conducted on the gamma phases for the first time, and it showed definite differences in the spectra of the phases obtained by the two methods.

}, issn = {0024-9297}, doi = {10.1021/ma048860d}, author = {Nair, S. S. and Ramesh, C.} } @article { ISI:000234330700013, title = {Studies on the lactic-fermentation of sugar apple (Annona squamosa L.) puree}, journal = {Journal of Food and Drug Analysis}, volume = {13}, number = {4}, year = {2005}, month = {DEC}, pages = {377-381}, publisher = {NATL LABORATORIES FOODS DRUGS}, type = {Article}, address = {161-2 KUEN YANG STREET, NANKANG, TAIPEI, TAIWAN}, abstract = {

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

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

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

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

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

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

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

}, issn = {1098-0121}, doi = {10.1103/PhysRevB.72.132407}, author = {Sankar, C. R. and Joy, Pattayil Alias} } @article { ISI:000232341900001, title = {Surface disorder in c-Si induced by swift heavy ions}, journal = {Radiation Effects and Defects in Solids}, volume = {160}, number = {6}, year = {2005}, month = {JUN}, pages = {207-218}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The disorders induced in crystalline silicon (c-Si) through the process of electronic energy loss in the swift heavy ion irradiation were investigated. A number of silicon \<100\> samples were irradiated with 65 MeV oxygen ions at different fluences, 1x10(13) to 1.5x10(14) ions/cm(2), and characterized by the Raman spectroscopy, the optical reflectivity, the X-ray reflectivity, the atomic force microscopy (AFM) and the X-ray diffraction (XRD) techniques. The intensity, redshift, phonon coherence length and asymmetric broadening associated with the Raman peaks reveal that stressed and disordered lattice zones are produced in the surface region of the irradiated silicon. The average crystallite size, obtained by analyzing Raman spectrum with the phonon confinement model, was very large in the virgin silicon but decreased to \<100 nm dimension in the ion irradiated silicon. The results of the X-ray reflectivity, AFM and optical reflectivity of 200-700 nm radiation indicate that the roughness of the silicon surface has enhanced substantially after ion irradiation. The diffusion of oxygen in silicon surface during ion irradiation is evident from the oscillation in the X-ray reflectivity spectrum and the sharp decrease in the reflectivity of 200-400 nm radiation. The rise in temperature, estimated from the heat spike model, was high enough to melt the local silicon surface. The results of XRD indicate that lattice defects have been induced and a new plane \<211\> has been formed in the silicon \<100\> after ion irradiation. The results of the present study show that the energy deposited in crystalline silicon through the process of electronic energy loss similar to 0.944 keV/nm per ion is sufficient to induce disorders of appreciable magnitude in the silicon surface even at a fluence of similar to 10(13) ions/cm(2).

}, keywords = {AFM, crystalline silicon, ion irradiation, optical and X-ray reflectivity, Raman, XRD}, issn = {1042-0150}, doi = {10.1080/10420150500275288}, author = {Bogle, Kashinath A. and Gokhale, Suresh P. and Bhoraskar, Vasant N.} } @article { ISI:000224609100004, title = {SVM classifier incorporating simultaneous noise reduction and feature selection: illustrative case examples}, journal = {Pattern Recognition}, volume = {38}, number = {1}, year = {2005}, month = {JAN}, pages = {41-49}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A hybrid technique involving symbolization of data to remove noise and use of conditional entropy minima to extract relevant and non-redundant features is proposed in conjunction with support vector machines to obtain more robust classification algorithm. The technique tested on three data sets shows improvements in classification efficiencies. (C) 2004 Pattern Recognition Society. Published by Elsevier Ltd. All rights reserved.

}, keywords = {classification, conditional entropy, SVM, symbolization}, issn = {0031-3203}, doi = {10.1016/j.patcog.2004.06.002}, author = {Kumar, R. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article { ISI:000228080800024, title = {Swelling behavior and diffusion studies of high-water-retaining acrylamide/potassium methacrylate hydrogels}, journal = {Journal of Applied Polymer Science}, volume = {96}, number = {4}, year = {2005}, month = {MAY}, pages = {1153-1164}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {Diffusion, hydrogels, swelling}, issn = {0021-8995}, doi = {10.1002/app.21565}, author = {Mohan, Y. M. and Murthy, P. S. K. and Rao, K. M. and Sreeramulu, J. and Raju, K. M.} } @article { ISI:000232886800008, title = {Synthesis and analysis of ZnO and CdSe nanoparticles}, journal = {Pramana-Journal of Physics}, volume = {65}, number = {4, SI}, year = {2005}, note = {1st National Conference on Nanoscience and Technology, Pune, INDIA, MAR 07-08, 2005}, month = {OCT}, pages = {615-620}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Zinc oxide and cadmium selenide particles in the nanometer size regime have been synthesized using chemical routes. The particles were capped using thioglycerol in case of ZnO and 2-mercaptoethanol in case of CdSe to achieve the stability and avoid the coalescence. Zinc oxide nanoparticles were doped with europium to study their optical properties. A variety of techniques like UV-Vis absorption spectroscopy, X-ray diffraction (XRD), photoluminescence (PL), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FT-IR) and transmission electron microscopy (TEM) were used to carry out structural and spectroscopic characterizations of the nanoparticles.

}, keywords = {chemical capping, Doping, Nanoparticles, photoluminescence}, issn = {0304-4289}, doi = {10.1007/BF03010449}, author = {Ashtaputre, S. S. and Deshpande, Aparna and Marathe, Sayali and Wankhede, M. E. and Chimanpure, J. and Pasricha, R. and Urban, J. and Haram, Santosh K. and Gosavi, S. W. and Kulkarni, S. K.} } @article { ISI:000227403100013, title = {Synthesis and assembly of gold nanoparticles in quasi-linear lysine-keggin-ion colloidal particles}, journal = {Advanced Functional Materials}, volume = {15}, number = {2}, year = {2005}, month = {FEB}, pages = {273-280}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

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

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

}, keywords = {Biodegradation, poly(aspartic acid), Polycondensation, polysuccinimide, synthesis, thermal}, issn = {1060-1325}, doi = {10.1080/10601320500189604}, author = {Thombre, SM and Sarwade, BD} } @article { ISI:000227248600018, title = {Synthesis and characterization of a novel extra large pore aluminophosphate molecular sieve, NCL-6}, journal = {Journal of the Indian Chemical Society}, volume = {82}, number = {1}, year = {2005}, month = {JAN}, pages = {77-78}, publisher = {INDIAN CHEMICAL SOC}, type = {Article}, address = {92 ACHARYA PRAFULLA CHANDRA RD ATTN:DR INDRAJIT KAR/EXEC SEC, CALCUTTA 700009, INDIA}, abstract = {

A novel extra large pore aluminophosphate molecular sieve NCL-6, has been prepared and characterized by various techniques such as XRD, SEM, TG/DTA, carbon and nitrogen analysis, FT-IR and MAS NMR are reported. X-Ray diffraction pattern shows that the synthesized sample is crystalline and have novel structure. SEM analysis indicate the phase purity and having granules morphology with 3 x 5 mum particle size. FT-IR spectrum in the framework region shows that the sample is similar to the other known aluminophosphates. TG/DTA shows that the sample losses 30.45\% due to the loss of water and organic molecules. Aluminium and phosphorous NMR shows that the presence of four different aluminium and three different phosphorous sites. The NMR are similar to VPI-5, NCL-2 and NCL-3.

}, issn = {0019-4522}, author = {Venkatathri, N} } @article { ISI:000226787200011, title = {Synthesis and characterization of aromatic polyamides containing an s-triazine ring with thiophenoxy linkages}, journal = {Polymer International}, volume = {54}, number = {3}, year = {2005}, month = {MAR}, pages = {569-575}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

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

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

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

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

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

}, keywords = {barium-strontium titanate, dissolution-recrystallization, Microstructure, microwave-hydrothermal synthesis, mineralizer, SEM, XRD, XRF}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.10.006}, author = {Deshpande, S. B. and Khollam, Y. B. and Bhoraskar, Y. B. and Date, Sadgopal K. and Sainkara, S. R. and Potdar, H. S.} } @article { ISI:000229051200014, title = {Synthesis and characterization of polyimides and co-polyimides having pendant benzoic acid moiety}, journal = {Polymer}, volume = {46}, number = {11}, year = {2005}, month = {MAY}, pages = {3669-3676}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A novel diamine monomer, 2,4-diamino-4{\textquoteright}-carboxy diphenyl ether had been synthesized. Several polyimides were prepared by reacting this diamine with commercially available dianhydrides, such as benzophenone tetracarboxylic acid dianhydride (BTDA), 4,4{\textquoteright}bis{hexafluoroisopropylidene his (phthalic anhydride)} (6-FDA), oxydiphthalic anhydride (ODPA) and 3,3{\textquoteright},4,4{\textquoteright}-biphenyltetracarboxylic acid dianhydride (BPDA). Furthermore, copolymers from the resulting diamine and oxydianiline (ODA) with 6 FDA were also synthesized. The inherent viscosities of the polymers were 0.42-0.67 dl g(-1). The polymers have good solubility in polar aprotic solvents, high thermal stability up to 410 \&DEG; C in nitrogen and high glass transition temperatures (T-g) ranging from 260-330 \&DEG; C. These polymers formed tough flexible films by solution casting. {\textcopyright} 2005 Elsevier Ltd. All rights reserved.

}, keywords = {co-polyimides, diamine with pendant benzoic acid, polyimides with pendant benzoic acid}, issn = {0032-3861}, doi = {10.1016/j.polymer.2005.03.001}, author = {Kulkarni, M and Kothawade, S and Arabale, G. and Wagh, D and Vijayamohanan, K and Kulkarni, RA and Vernekar, SP} } @article {42602, title = {Synthesis and curing studies of PPG based telechelic urethane methacrylic macromonomers}, journal = {European Polymer Journal}, volume = {41}, year = {2005}, month = {JAN}, pages = {23{\textendash}33}, type = {Article}, abstract = {

A New class of telechelic urethane methacrylic (TUMA) macromonomers were synthesized by a two-step condensation of 1, 6-hexamethylenediisocyanate (HMDI) with polypropylene glycol (PPG) of various molecular weights and capped with hydroxyl ethyl methacrylate (HEMA). A model compound based on diethylene glycol (DEG){\textemdash}M-1 was synthesized as a low molecular weight analogue. Another model compound{\textemdash}M-2 was also synthesized by direct coupling of two equivalents of HEMA with HMDI. The structure of the telechelic urethanes were confirmed by 1H, 13C NMR and FTIR spectroscopy. Photopolymerization of these telechelic systems was investigated using 2,2-diethoxy acetophenone as the photoinitiator at 5 wt.\%. Trihydroxymethylpropane trimethacrylate (30 parts), PPG diacrylates (25 parts), ethylhexyl acrylate (20 parts) were mixed with the various telechelic urethane methacrylates (25 parts) for curing studies. The kinetics of the curing was monitored by following the disappearance of the methacrylic double bonds at 1628 cm-1 using IR spectroscopy. TUMAPPG-425 had the fastest cure rate among the telechelic urethane methacrylates. This could be accounted for by hydrogen bonding pre-association in these systems. The thermal properties of the cured films were studied using TGA measurements. The cured films of the neat resin had a lower 50 wt.\% loss temperature compared with that of the same resin in the formulation.

}, doi = {10.1016/j.eurpolymj.2004.08.005}, author = {Asha, S. K. and Thirumal, M. and Kavitha, A. and Pillai, C.K.S.} } @article { ISI:000232405500048, title = {Synthesis and intramolecular nitrile oxide cycloaddition of 3,5 {\textquoteleft}-ether-linked pseudooligosaccharide derivatives: an approach to chiral macrooxacycles}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {21}, year = {2005}, month = {OCT}, pages = {8579-8582}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

}, isbn = {1-57498-218-4}, author = {Deka, Sasanka and Date, Sadgopal K. and Joy, Pattayil Alias}, editor = {Soohoo, R. F.} } @article { ISI:000229899200012, title = {Synthesis and NMR characterization of SAPO-35 from non-aqueous systems using hexamethyleneimine template}, journal = {Materials Research Bulletin }, volume = {40}, number = {7}, year = {2005}, month = {JUL}, pages = {1157-1165}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

SAPO-35 was synthesized using hexamethyleneimine template in non-aqueous systems. X-ray diffraction and scanning electron micrograph analysis shows the synthesized sample is pure and well crystalline. Presence of four stages (1.6\%, 0.8\%, 7.8\% and 8.4\%) of weight loss is observed by TG/DTA analysis. FT-IR analysis in the framework region shows the presence of tetrahedral T-O-T vibrations is similar to the other known aluminophosphate molecular sieves. FT-IR spectrum in the -OH region shows stretching vibrations at 3631, 3604 and 3580 cm(-1) can be assigned to OH groups in bigger cages near S6R, in bigger cages near D6R and those actually confined inside the D6R, respectively. The spectra for the as-synthesized sample show a single symmetrical Al-27 MAS NMR line at delta = 36.26 indicating the presence of a single tetrahedral aluminium species. Where as Si-29 and P-31 MAS NMR shows the presence of two peaks in both at (-89.9 and -95.15 ppm) and (-34.01 and -40.45 ppm) due to the Si substitution of P present in two different locations in double 6 ring (D6R) and in single 6 ring (S6R). Al-27 3Q-MAS NMR shows two peaks for environmentally different tetrahedral aluminium atoms. This is the first time we are showing such a fact which is not observable using ordinary MAS NMR. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {XRD}, issn = {0025-5408}, doi = {10.1016/j,materresbull.2005.03.008}, author = {Venkatathri, N} } @article { ISI:000234350400019, title = {Synthesis and swelling behaviour of hydrophobically modified responsive polymers in dilute aqueous solutions}, journal = {Polymer}, volume = {46}, number = {26}, year = {2005}, month = {DEC}, pages = {12190-12199}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

New series of associating polymers were synthesised in order to investigate opposite behaviours of hydrophobically modified water-soluble polymers and thermoresponsive water-soluble polymers carrying LCST stickers. On the basis of a poly(acrylic acid) backbone, amino-terminated poly(N-isopropylacrylamide), poly(ethylene oxide-co-propylene oxide) and/or dodecyl chains were grafted following a reaction of condensation activated by carbodiimide. Two homologous series of well-defined single grafted and double grafted copolymers were obtained, with double grafted chains containing both C12 and LCST grafts. The dilute solution properties of these copolymers were carefully studied by capillary viscometry. At low salt concentration and below the LCST of the grafts, the swelling properties of macromolecular chains are controlled either by intramolecular associations between hydrophobes, excluded volume effect exerted by hydrophilic grafts or by a balance between these opposite interactions. The deswelling of macromolecular chains, induced by hydrophobic interactions, is amplified at higher ionic strength and more particularly above the transition temperature of the side chains. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {associating polymers, poly(acrylic acid), viscometry}, issn = {0032-3861}, doi = {10.1016/j.polymer.2005.10.140}, author = {Iyer, N. P. and Hourdet, Dominique and Badiger, Manohar V. and Chassenieux, Christophe and Perrin, P. and Wadgaonkar, P.} } @article { ISI:000232712200011, title = {Synthesis, characterization and catalytic activity of Mn(III)- and Co(II)-salen complexes immobilized mesoporous alumina}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {241}, number = {1-2}, year = {2005}, month = {NOV}, pages = {79-87}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Immobilization, Mesoporous alumina, Oxidation, Schiff base complexes}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.07.005}, author = {Chaube, V. D. and Shylesh, S. and Singh, A. P.} } @article { ISI:000233927900005, title = {Synthesis, characterization and catalytic application of Ru-II-ethylenediamine complex - mesoporous silica as heterogeneous catalyst system in chemo-selective hydrogenation of alpha,beta-unsaturated carbonyl compounds}, journal = {Microporous and Mesoporous Materials}, volume = {87}, number = {1}, year = {2005}, month = {DEC}, pages = {33-44}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An efficient heterogeneous catalyst system for chemo-selective hydrogenation of alpha,beta-unsaturated aldehydes was synthesized, involving anchoring of a Ru-II-phosphine complex on the inner surfaces of organo-functionalized (propylamine and propylethylenediamine) mesoporous MCM-41 and MCM-48 materials. Powder XRD, SEM and TEM experiments reveal highly ordered hexagonal and cubic patterns of the organically modified MCM-41 and MCM-48 materials, respectively, even after incorporation of Ru complexes. Moreover, the integrity of the Ru complex was retained after anchoring into the mesoporous hosts, which was supported by FTIR, P-31 CP MAS NMR and XPS analyses. This heterogeneous catalyst shows promising activity and chemo-selectivity towards hydrogenation of carbonyl groups in alpha,beta-unsaturated aldehydes. The effects of reaction temperature, reaction time and hydrogen pressure on the activity and selectivity were studied in detail. The anchored solid catalysts can be recycled effectively and reused several times without any loss in activity and selectivity. Although, the initial activity of the same Ru complex when grafted onto the organically modified surfaces of fumed silica is comparable to corresponding MCM41/MCM-48 catalysts, the activity and chemo-selectivity significantly decrease during recycle of the catalyst due to leaching. (c) 2005 Elsevier Inc. All rights reserved.

}, keywords = {chemo-selective, heterogeneous catalysis, Heterogenization, Hydrogenation, mesoporous materials, organo-functionalization, Ru-II-ethylenediamine complex, unsaturated aldehyde}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2005.06.042}, author = {Ghosh, Anirban and Kumar, R} } @article { ISI:000228779100008, title = {Synthesis, characterization and catalytic potentials of polymer anchored copper(II), oxovanadium(IV) and dioxomolybdenum(VI) complexes of 2-(alpha-hydroxymethyl)benzimidazole}, journal = {Reactive \& Functional Polymers}, volume = {63}, number = {1}, year = {2005}, month = {MAR}, pages = {71-83}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

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

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

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

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

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

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

}, keywords = {EPDM, light induced grafting, Photostabilization, polymeric HALS}, issn = {1060-1325}, doi = {10.1081/MA-200065905}, author = {Lonkar, Sunil P. and Rana, S. and Singh, R. P. and Lacoste, Jacques and Gardette, Jean Luc and Jestin, F. and Brocord, E.} } @article { ISI:000226532100001, title = {Synthesis, characterization and photo catalytic degradation of aqueous eosin over Cr containing Ti/MCM-41 and SiO2-TiO2 catalysts using visible light}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {226}, number = {2}, year = {2005}, month = {FEB}, pages = {149-154}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Two series of samples were prepared namely Cr-Ti/MCM-41 and Cr/SiO2-TiO2 keeping Si/Ti mole ratio same, with different Cr loading. The physico-chemical properties of the samples were characterized by different analytical techniques such as XRD, FTIR, TEM, low temperature N-2 sorption, and UV-vis diffused reflectance spectroscopy. The impregnated TiO2 was in anatase form. The crystallite size was determined from Scherrer equation as well as by TEM. There is a difference between the shapes of nitrogen adsorption isotherms with and without Cr-loaded Ti/MCM-41 samples. The rate of nitrogen adsorption was found to increase with decrease in Cr content at lower P/P-0 for Cr-Ti/MCM-41 samples due to the blocking of the pores with Cr. All MCM-41 samples exhibited pore sizes from 24 nm to 32 nm. UV-vis diffused reflectance spectra of all Cr-loaded samples showed red shift of their absorption edges. Photo degradation of eosin dye was studied using visible light. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {Cr-Ti/MCM-41, Cr/SiO2-TiO2, eosin, photo degradation, visible light}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.09.055}, author = {Awate, S. V. and Jacob, Nalini E. and Deshpande, Suvarna S. and Gaydhankar, T. R. and Belhekar, Anagha A.} } @article { ISI:000233846100021, title = {Synthesis, characterization, electronic structure, and photocatalytic activity of nitrogen-doped TiO2 nanocatalyst}, journal = {Chemistry of Materials}, volume = {17}, number = {25}, year = {2005}, month = {DEC}, pages = {6349-6353}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0897-4756}, doi = {10.1021/cm052047v}, author = {Sathish, M and Viswanathan, B and Viswanath, RP and Gopinath, Chinnakonda S.} } @article { ISI:000231712000007, title = {Synthesis of bile acid dimers linked with 1,2,3-triazole ring at C-3, C-11, and C-24 positions}, journal = {Synlett}, number = {14}, year = {2005}, month = {SEP}, pages = {2155-2158}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

1,3-Dipolar cycloaddition of propargyl ester of a bile acid to an azide group attached at different positions of another bile acid gave three new 1,2,3-triazole-containing dimeric analogues in excellent yields.

}, keywords = {1, 2, 3-dipolar cycloaddition, 3-Triazole, Bile acids, Click chemistry, steroidal dimers}, issn = {0936-5214}, doi = {10.1055/s-2005-872223}, author = {Aher, Nilkanth G. and Pore, VS} } @article { ISI:000230275100032, title = {Synthesis of bismuth oxide nanoparticles at 100 degrees C}, journal = {Materials Letters}, volume = {59}, number = {19-20}, year = {2005}, month = {AUG}, pages = {2523-2525}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple gel to crystal conversion route has been followed for the preparation of ultrafine Bi2O3 particles at 80-100 degrees C under refluxing conditions. Freshly prepared bismuth hydroxide gel is allowed to crystallize under refluxing and stirring conditions for 6-12 h. Formation of nanocrystallites of Bi2O3 is confirmed by X-ray diffraction (XRD) study. The thermal decomposition of bismuth hydroxide yields Bi2O3 only at 400 degrees C. This shows the advantage of the present method. Transmission electron microscope (TEM) investigations revealed that the average particle size is 50 nm for these oven-dried powders. (c) 2005 Elsevier B.V All rights reserved.

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.03.037}, author = {Patil, M. M. and Deshpande, V. V. and Dhage, S. R. and Ravi, V.} } @article { ISI:000230877900020, title = {Synthesis of bismuth oxide nanoparticles by citrate gel method}, journal = {Ceramics International}, volume = {31}, number = {6}, year = {2005}, month = {JAN}, pages = {889-891}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A mixture of bismuth nitrate and citric acid solution is taken in 1: 1 molar ratio and heated on hot water bath. A gel is formed on evaporation of the water, which on decomposition at 400 degrees C produces nanocrystalline Bi2O3 particles. Formation of nanocrystallites of Bi2O3 is confirmed by X-ray diffraction (XRD) study. Transmission electron microscope (TEM) investigations revealed that the average particle size is 50 nm for these powders. (c) 2004 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {Electron microscopy, powders : chemical preparation, X-ray methods}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2004.09.002}, author = {Anilkumar, Mettu and Pasricha, R. and Ravi, V.} } @article { ISI:000227603500020, title = {Synthesis of bismuth oxide nanoparticles using bismuth nitrate and urea}, journal = {Ceramics International}, volume = {31}, number = {3}, year = {2005}, month = {JAN}, pages = {495-497}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A mixture of bismuth nitrate and urea is taken in 1:5 molar ratio and heated on hot water bath. A precipitate is formed on evaporation of the water which on decomposition at 400 degrees C produces nanocrystalline Bi2O3 particles. Formation of nano crystallites of Bi2O3 is confirmed by X-ray diffraction (XRD) study. Transmission electron microscopy (TEM) investigations revealed for these powders an average particle size of 50 nm. (c) 2004 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {calcination, Electron microscopy, X-ray methods}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2004.006.013}, author = {Jha, Ratnesh Kumar and Pasricha, R. and Ravi, V.} } @article { ISI:000225588700025, title = {Synthesis of bismuth titanate by the urea method}, journal = {Materials Letters}, volume = {59}, number = {4}, year = {2005}, month = {FEB}, pages = {514-516}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple urea precipitation route was adopted for the preparation of bismuth titanate (Bi4Ti3O12) powders. Stoichiometric quantities of BiCl3 and TiOCl2 were mixed with the required amount of urea (the ratio of total metal cations to urea is five), and the mixture was heated on a water bath. This leads to the formation of precipitate, which was decomposed at 973 K. The formation of bismuth titanate was observed on calcining powders at 973 K by X-ray diffraction studies. The average particle size is found to be 100 nm by microscopy. The room temperature dielectric constant is found to be 150 at 1 kHz. The hysteresis loop parameters were also obtained by home-built Sawer-Tower circuit. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {Ceramics, Chemical synthesis, dielectric properties, ferroelectricity, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.10.038}, author = {Anilkumar, Mettu and Dhage, S. R. and Ravi, V.} } @article { ISI:000228575900018, title = {Synthesis of (+)-camptothecin}, journal = {Arkivoc}, volume = {2005}, number = {3}, year = {2005}, month = {JAN}, pages = {165-169}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

A synthesis of optically pure camptothecin was achieved in 4 steps from previously reported aldehyde employing Sharpless asymmetric dihydroxylation as the key step.

}, keywords = {Anticancer, camptothecin, sharpless asymmetric dihydroxylation}, doi = {10.3998/ark.5550190.0006.318}, author = {Chavan, Subhash P. and Venkatraman, M. S.} } @article { ISI:000233914500027, title = {Synthesis of CdS and alloyed CdMnS nanocrystals using aqueous foams}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {5}, number = {12}, year = {2005}, month = {DEC}, pages = {2144-2154}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

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

}, keywords = {absorption and fluorescence, aerosol-OT, alloyed CdMnS nanocrystals, aqueous foams, CdS nanoclusters, quantum confinement, zincblende}, issn = {1533-4880}, doi = {10.1166/jnn.2005.401}, author = {Kumar, P. Senthil and Kasture, Manasi and Raghavan, U and Pasricha, R and Sastry, M} } @article { ISI:000225856600034, title = {Synthesis of Ce0.75Zr0.25O2 at 100 degrees C}, journal = {Ceramics International}, volume = {31}, number = {1}, year = {2005}, month = {JAN}, pages = {211-213}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A simple gel to crystal conversion route has been used for the preparation of Ce0.75Zr0.25O2 phase at 80-100degreesC under refluxing conditions. Freshly prepared metal hydroxides gel from cerium and zirconium salt solution is allowed to crystallize under refluxing and stirring conditions for 4-10 h. Formation of nano crystallites of Ce0.75Zr0.25O2 is confirmed by X-ray diffraction (XRD). Transmission electron microscopy (TEM) investigations revealed the average particle size of these powders to be 5 nm. (C) 2004 Elsevier Ltd and Techna S.r.l. All rights reserved.

}, keywords = {CeO2, chemical preparation, Electron microscopy, powders, X-ray methods}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2004.04.009}, author = {Dhage, S. R. and Gaikwad, S. R. and Muthukumar, P. and Ravi, V.} } @article { ISI:000232347900014, title = {Synthesis of chromium substituted nano particles of cobalt zinc ferrites by coprecipitation}, journal = {Materials Letters}, volume = {59}, number = {27}, year = {2005}, month = {NOV}, pages = {3402-3405}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {imines, ketenes, Staudinger cyclo-addition reaction, stereoselective synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.031}, author = {Shaikh, A. L. and Puranik, Vedavati G. and Deshmukh, A. R. A. S.} } @article { ISI:000233209400079, title = {Synthesis of eupomatilone-6 and assignment of its absolute configuration}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {23}, year = {2005}, month = {NOV}, pages = {9658-9661}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

[GRAPHICS] The Zn-mediated Barbier reaction of the biarylaldehyde 8 with crotyl bromide followed by hydroboration and oxidation provided the gamma-butyrolactones 4 and 5. The stereoselective installation of methyl group at C-3 by using LiHMDS and MeI completed the synthesis of racemic eupomatilone-6 (2) and its diastereomer 3. The spectroscopic data of 2 was in fall agreement with reported spectra of natural product, thus confirming the revised relative configuration of eupomatilone-6. Similarly, an optically active (3R,4R,5S)-isomer of eupomatilone-6 (23) was prepared in which the aldol reaction with thiazolidinethione as a chiral auxiliary was employed as a key step. On the basis of the spectroscopic data and optical rotation values of 23, the absolute configuration of eupomatilone-6 was proposed.

}, issn = {0022-3263}, doi = {10.1021/jo0516234}, author = {Gurjar, Mukund K. and Karumudi, Bhargava and Ramana, C. V.} } @article { ISI:000226803200008, title = {Synthesis of fine particles of ZnO at 100 degrees C}, journal = {Materials Letters}, volume = {59}, number = {7}, year = {2005}, month = {MAR}, pages = {779-781}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple gel to crystal conversion route has been followed for the preparation of fine ZnO at 80-100 degreesC under refluxing conditions. Freshly prepared zinc hydroxide gel is allowed to crystallize under refluxing and stirring conditions for 4-6 It. Formation of fine crystallites of ZnO is confirmed by X-ray diffraction (XRD) study. Transmission electron microscope (TEM) investigations revealed that the average particle size is 100 nm for these powders. (C) 2004 Elsevier B.V All rights reserved.

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.11.019}, author = {Dhage, S. R. and Pasricha, R. and Ravi, V.} } @article { ISI:000230375200016, title = {Synthesis of fine PbE (E = S, Se) powder from direct in situ reduction of sulphur or selenium}, journal = {Materials Chemistry and Physics}, volume = {93}, number = {1}, year = {2005}, month = {SEP}, pages = {91-94}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

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

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

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

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

}, issn = {0959-9428}, doi = {10.1039/b510398c}, author = {Singh, A. V. and Bandgar, B. M. and Kasture, Manasi and Bhagavatula L. V. Prasad and Sastry, M.} } @article { ISI:000230434500007, title = {Synthesis of high silica content silicoaluminophosphate-5 (SAPO-5) from non-aqueous medium using hexamethyleneimine template}, journal = {Journal of Scientific \& Industrial Research}, volume = {64}, number = {7}, year = {2005}, month = {JUL}, pages = {509-514}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Silicoaluminophosphate-5 (SAPO-5) molecular sieve with up to 2.4 Si atom per unit cell have been synthesized using hexamethyleneimine template in ethylene glycol medium (molar ratio of silica in the reaction gels up to 0.3). Crystallinity and silicon incorporation are confirmed by XRD, XRF, N, sorption study, TG/DTA, SEM. pyridine TPD technique and hydroxyl region FT-IR. These materials with high Si concentration show higher activity for toluene alkylation reaction than samples prepared with up to 0.1 molar ratio of silica in the gel of aqueous media.

}, keywords = {aqueous, FT-IR, hydroxyl region, non-aqueous, SAPO-5, SEM, TG/DTA, XRD}, issn = {0022-4456}, author = {Venkatathri, N} } @article { ISI:000229243800064, title = {Synthesis of hydroxyapatite crystals using amino acid-capped gold nanoparticles as a scaffold}, journal = {Langmuir}, volume = {21}, number = {11}, year = {2005}, month = {MAY}, pages = {5185-5191}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0743-7463}, doi = {10.1021/la048541f}, author = {Rautaray, D. and Mandal, Sujata and Sastry, M.} } @article { ISI:000230389700024, title = {Synthesis of linear alkyl benzenes over zirconia-supported 12-molybdophosphoric acid catalysts}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {236}, number = {1-2}, year = {2005}, month = {JUL}, pages = {162-167}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The liquid-phase alkylation of benzene with 1-octene and 1-dodecene was investigated using zirconia-supported 12-molybdophosphoric acid (MPA) as catalyst. The catalysts with different MPA loading (5-25 wt.\% calcined at 700 degrees C) and calcination temperature (15 wt.\% calcined from 500 to 750 degrees C) were prepared by suspending zirconium oxyhydroxide in methanol solution of MPA followed by drying and calcination. These catalysts were characterized by X-ray diffraction, and P-31 MAS NMR spectroscopy measurements. The XRD results indicated that MPA stabilizes the tetragonal phase of zirconia. 3 1 P MAS NMR spectra show that the nature of phosphorous species depend on MPA loading and calcination temperature, and it show the existence of three types of phosphorous species, one is the Keggin unit and the other is the decomposition product of MPA and third one an unidentified species. FTIR pyridine adsorption on 15\% MPA catalyst calcined at 700 degrees C showed the presence both Bronsted and Lewis acidity. Under the reaction conditions of 83 C, benzene/1-olefin molar ratio of 10 (time, 1 h), the most active catalyst, 15\% MPA calcined at 700 C gave more than 90\% olefin conversion with selectivity to 2-phenyl octane, 55\% and 2-phenyl dodecane, 45\%. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {12-molybdophosphoric acid, benzene alkylation, linear alkyl benzene, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.03.033}, author = {Devassy, Biju M. and Lefebvre, F. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000228510500005, title = {Synthesis of nanocrystalline Mn3O4 at 100 degrees C}, journal = {Materials Research Bulletin}, volume = {40}, number = {4}, year = {2005}, month = {APR}, pages = {605-609}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple gel to crystal conversion route has been followed for the preparation of nanocrystalline tetragonal Mn3O4 powders at 80-100 degrees C under refluxing conditions. Freshly prepared manganese hydroxide gel is allowed to crystallize under refluxing and stirring conditions for 4-6 h. Formation of nano crystallites of Mn3O4 is confirmed by X-ray diffraction (XRD) study. Transmission electron microscope (TEM) investigations revealed that the average particle size is 50 nm for these powders. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2005.01.009}, author = {Anilkumar, Mettu and Ravi, V.} } @article { ISI:000228771600009, title = {Synthesis of nanocrystalline rutile}, journal = {Ceramics International}, volume = {31}, number = {4}, year = {2005}, month = {JAN}, pages = {555-557}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {chemical preparation, Electron microscopy, powders, TiO2, X-ray methods}, issn = {0272-8842}, author = {Samuel, V and Pasricha, R and Ravi, V} } @article { ISI:000229484400013, title = {Synthesis of naturally occurring bioactive butyrolactones: maculalactones A-C and nostoclide I}, journal = {Tetrahedron}, volume = {61}, number = {22}, year = {2005}, month = {MAY}, pages = {5297-5302}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Starting from citraconic anhydride (13), a simple multistep (9-10 steps) synthesis of naturally occurring butyrolactones maculalactone A (3), maculalactone B (1), maculalactone C (2) and nostoclide 1 (4) have been described with good overall yields via dibenzylmaleic anhydride (20) and benzylisopropylmaleic anhydride (27). The two anhydrides 20 and 27 were prepared by S(N)2{\textquoteright} coupling reactions of appropriate Grignard reagents with dimethyl bromomethylfumarate (14), LiOH-induced hydrolysis of esters to acids, bromination of carbon-carbon double bond, in situ dehydration followed by dehydrobromination and chemoselective allylic substitution of bromoatom in disubstituted anhydrides 19 and 26 with appropriate Grignard reagents. The NaBH4 reduction of these anhydrides 20 and 27 furnished the desired lactones 21 and 29, respectively. The lactone 21 on Knoevenagel condensation with benzaldehyde, furnished maculalactone B (1), which on isomerization gave maculalactone C (2). Selective catalytic hydrogenation of 1 gave maculalactone A (3). The conversion of lactone 29 to nostoclide 1 (4) is known. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {dimethyl bromomethylfumarate, disubstituted maleic anhydrides, maculalactone A-C, NaBH4 reductions, nostoclide 1, S(N)2 {\textquoteleft} Grignard couplings, synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.03.065}, author = {Kar, Anirban and Gogoi, Sanjib and N. P. Argade} } @article { ISI:000231000700013, title = {Synthesis of poly(1-hexene)s end-functionalized with phenols}, journal = {Polymer International}, volume = {54}, number = {9}, year = {2005}, month = {SEP}, pages = {1310-1313}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

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

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

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

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray techniques}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.04.016}, author = {Patil, M. M. and Deshpande, V. V. and Deshpande, S. B. and Samuel, V. and Ravi, V.} } @article {43221, title = {Synthesis of small cyclic peptides constrained with 3-(3-aminomethylphenyl)propionic acid linkers using free radical-mediated macrocyclization}, journal = {Tetrahedron Letters}, volume = {46}, year = {2005}, month = {AUG}, pages = {5207-5210}, abstract = {In this letter, we report that small peptides (di- and tri-) having a 3-bromobenzyl group at the C-termini and an acryloyl group at the N-termini undergo an efficient Bu3SnH-AlBN mediated intramolecular free radical cyclization to afford cyclic peptides in good yields. We also propose that these cyclizations are occurring via a pre-organized acyclic structure dictated by a reverse turn (gamma/beta-turn). (c) 2005 Published by Elsevier Ltd.}, doi = {10.1016/j.tetlet.2005.05.115}, author = {Balraju, V. and Reddy, D. Srinivasa and Periasamy, M. and Iqbal, Javed} } @article { ISI:000231592300006, title = {Synthesis of Sr0.5Ba0.5Nb2O6 by citrate gel method}, journal = {Materials Chemistry and Physics}, volume = {94}, number = {1}, year = {2005}, month = {NOV}, pages = {34-36}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A gel was formed when an aqueous solution of BaCl2, SrCl2, NbF5 and citric acid in stoichiometric ratio is heated on a water bath. This gel on decomposition at 700 degrees C yielded the nanocrystallites of ternary oxide, Sr0.5Ba0.5Nb2O6 (SBN) as confirmed by X-ray diffraction study (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). The room temperature dielectric constant at I kHz is 1000. The ferroelectric hysteresis loop parameters of these samples were also studied by a home built Sawyer-Tower circuit. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Ceramics, Electron microscopy, ferroelectricity, Oxides}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.04.003}, author = {Pasricha, R and Ravi, V} } @article { ISI:000227164000044, title = {Synthesis of Sr0.5Ba0.5Nb2O6 by urea method}, journal = {Materials Letters}, volume = {59}, number = {8-9}, year = {2005}, month = {APR}, pages = {1053-1055}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A precipitate was formed when an aqueous solution of SrCl2, BaCl2, NbF5 and urea in stoichiometric ratio (total metal cations to urea ratio is 5) is heated on a water bath.. This precipitate on decomposition at 750 degreesC yielded the nanocrystallites of ternary oxide, Sr0.5Ba0.5Nb2O6 (SBN) as confirmed by X-ray diffraction study (XRD). This is much lower temperature as compared to that prepared by traditional solid state method (1000 degreesC as reported for the formation of SBN ceramics. Transmission electron microscope (TEM) investigations revealed that the average particle size is 100 nm for the calcined powders. The room temperature dielectric constant at 1 kHz is found to be 1050. The ferroelectric hysteresis loop parameters of these samples were also studied. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {Ceramics, Electron microscopy, ferroelectricity, Oxides}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.12.003}, author = {Dhage, S. R. and Pasricha, R. and Ravi, V.} } @article { ISI:000231253000015, title = {Synthesis of substituted tetrahydro-1H-xanthen-1-ones and xanthenes}, journal = {Journal of Chemical Research }, number = {7}, year = {2005}, month = {JUL}, pages = {454-456}, publisher = {SCIENCE REVIEWS LTD}, type = {Article}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {

A short and an efficient methodology for the synthesis of substituted tetrahydro-1H-1-xanthenones and xanthenes is described.

}, keywords = {balanol, diarylmethanes, tetrahydro-1H-xanthen-1-ones, Xanthenes}, issn = {0308-2342}, author = {Patil, M. L. and Borate, Hanumant B.} } @article { ISI:000227107500022, title = {Synthesis, structure, electrochemistry and ROMP-activity of new ferrocenyl analog of Grubbs{\textquoteright} metathesis catalyst}, journal = {Journal of Organometallic Chemistry}, volume = {690}, number = {4}, year = {2005}, month = {FEB}, pages = {1018-1027}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {Electrochemistry, ferrocene, Metathesis, non-covalent interactions, ring-opening metathesis polymerization, ruthenium carbene}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2004.11.012}, author = {Maishal, T. K. and Mondal, Biplab and Puranik, Vedavati G. and Wadgaonkar, P. P. and Lahiri, Goutam Kumar and Sarkar, A.} } @article { ISI:000227411400025, title = {Synthetic studies toward tricyclic cembranoids: a modular approach for the construction of the tricyclic framework of eunicin}, journal = {Tetrahedron Letters}, volume = {46}, number = {11}, year = {2005}, month = {MAR}, pages = {1881-1884}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of a sugar derived allene and its intramolecular silver mediated etherification followed by ring closing metathesis has been explored for building the tricyclic framework of eunicin. (C) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Allene, Carbohydrate, cembranoid, eunicin, Ring closing metathesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.01.094}, author = {Gurjar, MK and Nayak, S and Ramana, CV} } @article { ISI:000240439900043, title = {Selective hydrogenation of naphthols to tetralones over supported palladium catalysts in supercritical carbon dioxide solvent}, journal = {Chemistry Letters}, volume = {35}, number = {7}, year = {2006}, month = {JUL}, pages = {780-781}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

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

}, issn = {0366-7022}, doi = {10.1246/cl.2006.780}, author = {Mine, Eiichi and Hiyoshi, Norihito and Sato, Osamu and Rode, Chandrashekhar V. and Shirai, Masayuki} } @article { ISI:000241591900007, title = {Selective ortho-methylation of phenol with methanol over copper manganese mixed-oxide spinel catalysts}, journal = {Journal of Catalysis}, volume = {243}, number = {2}, year = {2006}, month = {OCT}, pages = {278-291}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Methylation of phenol with methanol as an alkylating agent to produce 2,6-xylenol was investigated over copper manganese mixed oxide spinels, CuxMn3-xO4 (x = 0, 0.25, 0.5, 0.75, and 1) prepared through co-precipitation. The catalytic activity strongly depends on the composition, acid-base properties, and structural stability. Various parameters, including catalyst composition, reaction temperature, feed composition, and durability of the catalyst during methylation, were investigated. Mainly o-cresol and 2,6-xylenol, along with small amounts of mesitol, were found in the product. A high ortho-selectivity of 100\%, with 2,6-xylenol selectivity of 74\%, was observed over Cu0.25Mn2.75O4 at 673 K. These catalysts were investigated using various techniques, including BET surface area, XRD, DRS UV-vis, TPD of NH3 and CO2, TPR, and X-ray photoemission spectroscopy (XPS). Powder XRD of the catalysts revealed the formation of copper-manganese spinels with hausmannite (Mn3O4) tetragonal structure, for x = 0-0.5, whereas an increase in copper content (x \> 0.5) led to the formation of cubic Cu1.5Mn1.5O4 phase. DRS UV-vis, and FTIR further supported the changes in structural phases observed by XRD. Temperature-programmed desorption Of CO2 and NH3 showed that the catalysts have strong basicity along with weak acidity when x = 0 and 0.25. XPS and XAES analysis revealed the presence of only Cu2+ ions in fresh sample with x = 0.25, whereas for x = 1.0, both Cu1+ and Cu2+ were observed. The deactivation of the catalysts is attributed to structural changes occurring during the reaction. Catalytic activity is correlated with structure, as well as with acid-base properties. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {2, 6-xylenol, acidity-basicity, copper-manganese oxides, ortho-alkylation, phenol methylation, Spinels}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.07.014}, author = {Reddy, A. Satyanarayana and Gopinath, Chinnakonda S. and Chilukuri, Satyanarayana V.} } @article { ISI:000241591900017, title = {Selective production of methoxyphenols from dihydroxybenzenes on alkali metal ion-loaded MgO}, journal = {Journal of Catalysis}, volume = {243}, number = {2}, year = {2006}, month = {OCT}, pages = {376-388}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Selective O-methylation of dihydroxybenzenes (DHBs; catechol, resorcinol, and hydroquinone) to methoxyphenols (MPs) was carried out with dimethylcarbonate on MgO and alkali metal ion (Li, K, and Cs)-loaded MgO between 523 and 603 K. Catalytic activity and product selectivity varied with respect to DHB substrates. Selectivity for O-methylated products increased with increasing basicity of alkali ions; however, K-MgO showed high and stable activity toward MPs. Selectivity for MPs obtained from three substrates increased in the following order: catechol \< resorcinol \< hydroquinone. The mode of interaction of substrates on the catalysts surface influenced reactivity and product selectivity. It is likely that the low reaction temperatures used (\< 603 K) kinetically control and favor high MP selectivity from DHBs. Calcined and spent catalysts were characterized by XRD, surface area, SEM, thermal analysis, NMR, and XPS. XRD analysis revealed the formation of alkali oxide phases on alkali-loaded MgO. Crystallite size and surface area of the catalysts decreased after methylation reactions, except on K-MgO. TGA showed 4060 wt\% coke deposition on spent catalysts. TGA in N-2 followed by air and C-13 CP-MAS NMR measurements indicated the nature of deposited carbon to be molecular species, graphite, MgCO3 and polyaromatics. XPS revealed the nature and availability of active sites on the spent catalysts, as well as the same changes with reaction conditions and correlated with catalytic activity. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {alkali-loaded MgO, dihydroxybenzene, K-MgO, methoxyphenol, MgO, O-methylation, thermal analysis, XPS}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.08.009}, author = {Vijayaraj, Munusamy and Gopinath, Chinnakonda S.} } @article {42591, title = {Self-organization-induced three-dimensional honeycomb pattern in structure-controlled bulky methacrylate polymers:}, journal = {Journal of Physical Chemistry B}, volume = {110}, year = {2006}, month = {OCT}, pages = {21450{\textendash}21459}, type = {Article}, abstract = {

Here we report, for the first time, a novel molecular design for three-dimensional honeycomb structures through a self-organization of hydrogen-bonded bulky anchoring group in a methacrylic polymer backbone. The polymerizable monomer design includes a methacrylic double bond linked to various hydrophobic anchoring units such as ethane, n-decane, tricyclodecane (TCD), and adamantane via a hydrogen-bonded cycloaliphatic urethane linkage. The structures of the polymers were confirmed by nuclear magnetic resonance (NMR) and the molecular weights of the polymer were determined by gel permeation chromatography (GPC). The methacrylate polymers having tricyclodecane and adamantane bulky anchoring groups self-organized to produce three-dimensional honeycomb patterns in tetrahydrofuran-water solvent mixture at ambient conditions, whereas its linear analogues (ethane, n-decane) failed to produce any micropattern. The scanning electron microscopy (SEM) analysis of the above-prepared polymer films revealed that the structure of the polymer played a major role in the formation of the honeycomb patterns. The solution Fourier transform infrared (FTIR) measurements confirmed that the bulky tricyclodecane and adamantane polymers have strong hydrogen-bonding interaction compared to that of their linear analogues, which is the driving force for the micropatterns. Transmission electron microscopy (TEM) and atomic force microscopy (AFM) analysis of the bulky polymers revealed that the polymers exist as vesicles or micelles in the solution, which leads to the formation of the honeycomb pattern. The honeycomb pattern formation in the bulky polymer systems suggests that two cooperative factors such as hydrogen-bonding interaction and hydrophobicity of bulky anchoring units are necessary to induce three-dimensional honeycomb structures. To investigate the effect of molecular weights and its distribution on the self-organization process, both benzoyl peroxide (BPO) initiated free radical and atom transfer radical polymerization (ATRP) techniques were employed for the polymerization. Micropores formed irrespective of differences in molecular weight and polydispersity index (PDI); however, the pore size distribution was influenced by both molecular weights and PDI. Low molecular weight samples afforded polydisperse pores with the ATRP samples with more narrow PDI producing pores with large dimensions. The approach has also been investigated for polystyrene-bulky methacrylic copolymer, and the results revealed that uniform honeycomb patterns were produced for copolymers having more than 50 mol \% incorporation of bulky units.

}, doi = {10.1021/jp063469a}, author = {Deepak, V. D. and Asha, S. K.} } @article { ISI:000238502400034, title = {Shape selective synthesis of long-chain linear alkyl benzene (LAB) with AIMCM-41/beta zeolite composite catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {253}, number = {1-2}, year = {2006}, month = {JUL}, pages = {239-244}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The liquid-phase alkylation of benzene with long-chain olefins such as 1-decene, 1-octene and 1-dodecene was carried out over AIMCM-41/Beta zeolite composite material as catalyst. The catalyst was prepared by seeding method and characterized by XRD, N-2 sorption, FTIR pyridine adsorption, NH3-TPD and SEM. Powder XRD of AlMCM-41/Beta zeolite composite material showed the co-existence of well-structured microporous and mesophase of AlMCM-41. The typical textural characteristics of micro- and meso-structured phases were observed in the composite material. The effect of temperature, reactant molar ratios and catalyst weight on 1-dodecene conversion and products selectivity was studied. The composite catalyst was found to be the highly selective towards the formation 2-dodecylbenzene. Under the reaction conditions of 120 degrees C, benzene/1-dodecene molar ratio 10 and time 2h, the catalyst gave 48\% dodecene conversion with 76\%, 2-dodecylbenzene selectivity. Significant improvement in catalytic activity has been achieved by composite material as compared to Al-MCM-41. Although zeolite beta and composite material gave similar conversion of dodecene, the composite material showed higher selectivity towards 2-dodecylbenzene, which could be due to higher diffusibility of 2-dodecylbenzene isomer in the composite material. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {AIMCM-41/beta zeolite composite, Alkylation, Benzene, long-chain olefins}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.03.045}, author = {Bordoloi, Ankur and Devassy, Biju M. and Niphadkar, P. S. and Joshi, P. N. and Halligudi, Shivaraj B.} } @article { ISI:000240670800021, title = {Short and practical enantioselective synthesis of linezolid and eperezolid via proline-catalyzed asymmetric alpha-aminooxylation}, journal = {Tetrahedron Letters}, volume = {47}, number = {38}, year = {2006}, month = {SEP}, pages = {6799-6802}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

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

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

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

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

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

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

}, keywords = {aromatization, Ga-based zeolites, propane, Si/Al ratio, Si/Ga ratio, zeolitic factors}, issn = {1566-7367}, doi = { 10.1016/j.micromeso.2005.10.043}, author = {Srivastava, R. and Srinivas, D. and Ratnasamy, P.} } @article { ISI:000236477800029, title = {Size-dependent magnetic properties of nanocrystalline yttrium iron garnet powders}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {301}, number = {1}, year = {2006}, month = {JUN}, pages = {212-219}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Yttrium iron garnet (YIG) powders with particle sizes of 9, 14, 25 and 60 nm have been synthesised and their magnetic properties have been studied as a function of particle size and temperature. The particles with sizes of 9 and 14 nm exhibited superparamagnetism. The blocking temperature (T-B) decreased with decreasing particle size, whereas the anisotropy constant (K) increased. The saturation magnetisation (M-s) decreased with decreasing particle size. These variations are attributed to large surface-to-volume ratios in nanoparticles where the surface moments are predominant. (c) 2005 Published by Elsevier B.V.

}, keywords = {anisotropy constant, Magnetism, Nanoparticles, Superparamagnetism, YIG}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2005.06.027}, author = {Rajendran, M. and Deka, Sasanka and Joy, Pattayil Alias and Bhattacharya, Asish K.} } @article {24}, title = {Soft-sensor development for fed-batch bioreactors using support vector regression}, journal = {Biochemical Engineering Journal}, volume = {27}, number = {3}, year = {2006}, note = {Conference on Atomic Molecular and Optical Physics, Calcutta, INDIA, DEC 13-15, 2005}, month = {JAN}, pages = {225-239}, publisher = {Indian Assoc Cultivat Sci}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

In the present paper, a state-of-the-art machine learning based modeling formalism known as "support vector regression (SVR)", has been introduced for the soft-sensor applications in the fed-batch processes. The SVR method possesses a number of attractive properties such as a strong statistical basis, convergence to the unique global minimum and an improved generalization performance by the approximated function. Also, the structure and parameters of an SVR model can be interpreted in terms of the training data. The efficacy of the SVR formalism for the soft-sensor development task has been demonstrated by considering two simulated bio-processes namely, invertase and streptokinase. Additionally, the performance of the SVR based soft-sensors is rigorously compared with those developed using the multilayer perceptron and radial basis function neural networks. The results presented here clearly indicate that the SVR is an attractive alternative to artificial neural networks for the development of soft-sensors in bioprocesses.

}, keywords = {deprotection, Microwave, stannous chloride, tert-butyldimethylsilyl ethers}, isbn = {978-981-270-379-8}, issn = {0376-4699}, doi = {10.1016/j.bej.2005.08.002}, author = {Desai, Kiran M. and Badhe, Yogesh P. and Tambe, S. S. and Kulkarni, B. D.} } @article { ISI:000239536200026, title = {Stabilization of gamma-sterilized biomedical polyolefins by synergistic mixtures of oligomeric stabilizers}, journal = {Polymer Degradation and Stability}, volume = {91}, number = {10}, year = {2006}, month = {OCT}, pages = {2451-2464}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

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

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

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

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

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

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

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

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

}, issn = {0021-9258}, doi = {10.1074/jbc.M604172200}, author = {Kumar, R. Suresh and Brannigan, James A. and Prabhune, Asmita and Pundle, Archana V. and Dodson, Guy G. and Dodson, Eleanor J. and Suresh, C. G.} } @article { ISI:000234528800001, title = {Studies on shrikhand rheology}, journal = {Journal of Food Engineering}, volume = {74}, number = {2}, year = {2006}, month = {MAY}, pages = {169-177}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Shrikhand, a popular Indian dessert made from yogurt, is manufactured on an industrial scale using several chemical engineering unit operations such as mixing, filtration and heat transfer. Understanding the rheology of shrikhand is not only relevant for designing large scale mixers but can also provide quantitative means for linking the microstructure of shrikhand to its perception of texture, consistency and taste. We show here that shrikhand exhibits a combination of several rheological properties such as weak gel-like viscoelasticity, an apparent yield stress, thixotropy and long structural recovery time scales. For instance, the elastic modulus is always higher than the loss modulus over the measurable frequency range and that both moduli show only weak frequency dependence that is a characteristic of gel-like consistency. Forward and reverse rate sweep tests show a distinct hysteresis loop, which is a signature of thixotropic character. In an attempt to trace the origins of these rheological properties in shrikhand we characterized its microstructure and showed that there exist two different microstructures: one composed of crystallites of milk fats having a length scale of similar to 50-100 mu m, and the other composed of aggregates of colloidal cascin micelles of similar to 0.5-10 mu m size. Our studies show that while the temperature sensitivity of the viscoelastic parameters is dominated by the semicrystalline milk fat microstructure, the shear sensitivity is largely dictated by the protein network. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Microstructure, Rheology, shrikhand}, issn = {0260-8774}, doi = {10.1016/j.jfoodeng.2005.02.029}, author = {Kulkarni, C. and Belsare, N. and Lele, Ashish K.} } @article { ISI:000238097300041, title = {Subtle crossover from C-H center dot center dot center dot O to S=O center dot center dot center dot C=O short contacts in the association of diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoformate upon format}, journal = {Crystal Growth \& Design}, volume = {6}, number = {6}, year = {2006}, month = {JUN}, pages = {1485-1492}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1528-7483}, doi = {10.1021/cg060127l}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000238294800037, title = {Suppression of electron-transfer characteristics of ferrocene by OTS monolayer on a silicon/electrolyte interface}, journal = {Journal of Colloid and Interface Science}, volume = {299}, number = {2}, year = {2006}, month = {JUL}, pages = {777-784}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The passivating behavior of self-assembled monolayers (SAMs) of octadecyltrichlorosilane (OTS) on an n-type Si(100) electrode with and without a redox species like ferrocene in a polar non-aqueous medium has been investigated using techniques like contact angle measurements, Fourier transform infrared (FTIR) spectroscopy and X-ray photoelectron spectroscopy (XPS) to understand the role of the monolayer. The electron-transfer behavior of ferrocene is found to be drastically affected by the presence of monolayer and the reasons for these are analyzed as a function of the change in resistance, dielectric thickness and coverage of the monolayer. Electrochemical impedance analysis in the presence of ferrocene gives the monolayer coverage as 0.998 and the apparent rate constant calculated from this gives 4.85 x 10(-12) cm s(-1) in comparison with 4.4 x 10(-8) cm s(-1) for a similar electrode without any monolayer. A positive shift of 200 mV in the flat-band potential after monolayer formation also suggests the covalent coupling of the silane nionolayer offering a protective barrier. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {cyclic voltammetry, ferrocene, impedance analysis, octadecyltrichlorosilane (OTS), rate constant, self-assembled monolayer (SAM)}, issn = {0021-9797}, doi = {10.1016/j.jcis.2006.03.013}, author = {Kulkarni, S. A. and Kakade, Bhalchandra A. and Mulla, Imtiaz S. and Pillai, V. K.} } @article {31}, title = {Supramolecular self-assembled ruthenium-polypyridyl framework encapsulating discrete water cluster}, journal = {Crystal Growth \& Design}, volume = {6}, number = {3}, year = {2006}, month = {MAR}, pages = {743-748}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, keywords = {4, 4 {\textquoteleft}-dimethoxydiphenylmethane, benzylsulfonic acid, Condensation of anisole, p-formaldehyde, Zr-TMS-BSA}, issn = {1381-1169}, author = {Deshpande, Megha S. and Kumbhar, A. S. and Puranik, Vedavati G. and Selvaraj, K.} } @conference { ISI:000238125903326, title = {Surface characterization of diblock copolymers containing poly(ethylene oxide) and various hydrophobic moieties}, booktitle = {231st National Meeting of the American-Chemical-Society}, volume = {231}, year = {2006}, note = {231st National Meeting of the American-Chemical-Society, Atlanta, GA, MAR 26-30, 2006}, month = {MAR}, pages = {326-COLL}, publisher = {American-Chemical-Society}, organization = {American-Chemical-Society}, type = {Meeting Abstract}, address = {1155 16th ST, NW, Washington, DC 20036 USA}, issn = {0065-7727}, author = {Logan, Jennifer and Marcano, Kyle and Palaskar, Dnyaneshwar and Wadgaonkar, Prakash and Jost, Robert W. and Wudl, Fred and Baker, Shenda M.} } @article { ISI:000239445500108, title = {Surface modification of polyacrylonitrile based ultrafiltration membrane}, journal = {Journal of Applied Polymer Science}, volume = {101}, number = {6}, year = {2006}, month = {SEP}, pages = {4378-4385}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Ultrafiltration membrane based on polyacrylonitrile prepared by phase inversion method using zinc chloride as an additive showed more than 90\% rejection for BSA and 90-110 Im(-2) h(-1) water flux. The surface modification of this membrane was studied using ethanolamine, triethylamine, sodium hydroxide, and potassium hydroxide solutions. The effect of base treatment time and temperature on water flux and rejection was investigated. The membranes exhibited swelling by NaOH treatment followed by deswelling by HCl post-treatment, similar to pH responsive membranes. The treatment by organic as well as inorganic bases improved water flux with a slight lowering in BSA rejection by dead-end mode type treatment. A 230\% increase in water flux was achieved by sodium hydroxide treatment in crossflow mode without a noticeable pore swelling by SEM. The contact angle of the modified membranes was decreased as compared to the unmodified one indicating appreciable surface modification. As the treatment time or temperature increased, the ESCA analysis showed increased population of Na-carboxylate groups. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {BSA rejection, chemical treatment, polyacrylonitrile membrane, surface modification, Ultrafiltration}, issn = {0021-8995}, doi = {10.1002/app.23917}, author = {Lohokare, Harshada R. and Kumbharkar, S. C. and Bhole, Yogesh S. and Kharul, Ulhas K.} } @article {42759, title = {Suzuki cross-coupling reactions catalyzed by palladium complex of an inexpensive phosphinite, 2-diphenylphosphinoxynaphthyl}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {259}, year = {2006}, month = {NOV}, pages = {78{\textendash}83}, type = {Article}, abstract = {

A facile and less expensive monophosphinite ligand 2-(diphenylphosphinoxy)-naphthyl, C10H7OPPh2 (1) has been synthesized from the reaction of β-naphthol with chlorodiphenylphosphine. The mixture of Pd(OAc)2 and 1 catalyzes the Suzuki cross-coupling of a variety of aryl halides with aryl boronic acids at room temperature or at 60 {\textdegree}C, giving generally high yields even under low catalytic loads. The effect of solvent, base and catalyst loading on the coupling reaction of aryl halide with arylboronic acid is also described.

}, doi = {10.1016/j.molcata.2006.05.067}, author = {Punji, Benudhar and Ganesamoorthy, Chelladurai and Balakrishna, Maravanji S.} } @article { ISI:000240242300001, title = {Syntheses and applications of C-2-symmetric chiral diols}, journal = {Tetrahedron-Asymmetry}, volume = {17}, number = {13}, year = {2006}, month = {AUG}, pages = {1901-1929}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Synthetic procedures for a large variety of C-2-symmetric chiral diols are reviewed. Prominent among these procedures are enantioselective reductions, epoxide-cleavages, dihydroxylation of olefins, and synthetic transformations. Applications of these diols as chiral auxiliaries/ligands for several important reactions are also highlighted. (c) 2006 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2006.06.023}, author = {Bhowmick, Kartick C. and Joshi, Navalkishore N.} } @article { ISI:000238111400026, title = {Syntheses of polycarbonate and polyurethane precursors utilizing CO2 over highly efficient, solid as-synthesized MCM-41 catalyst}, journal = {Tetrahedron Letters}, volume = {47}, number = {25}, year = {2006}, month = {JUN}, pages = {4213-4217}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {carbamates, carbon dioxide utilization, CO2 fixation, cyclic carbonates, eco-friendly processes, MCM-41, polycarbonates, polyurethanes}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.04.057}, author = {Srivastava, R. and Srinivas, D. and Ratnasamy, P.} } @article { ISI:000239739400012, title = {Synthesis and characterization of AlPO4-5RT molecular sieve at room temperature}, journal = {Journal of the Indian Chemical Society}, volume = {83}, number = {7}, year = {2006}, month = {JUL}, pages = {697-701}, publisher = {INDIAN CHEMICAL SOC}, type = {Article}, address = {92 ACHARYA PRAFULLA CHANDRA RD ATTN:DR INDRAJIT KAR/EXEC SEC, CALCUTTA 700009, INDIA}, abstract = {

Aluminophosphate molecular sieve AlPO4-5RT (AlPO4-5, prepared at room temperature) have been synthesized using hexamethyleneimine template at room temperature for the first time. Gel composition Al2O3 : P2O5 : 1.16HEM : 45H(2)O aging for 12 h at room temperature, and in 24 h, 473 K are the standard reaction conditions for synthesis of AlPO4-5. Studies on above gel composition at room temperature shows the presence of AlPO4-5 crystals. Both the aluminophosphates have been characterized by elemental analysis, XRD, SEM, FT-IR, TG/DTA, and C-13, Al-27 and P-31 MASNMR techniques. XRD analysis of AlPO4-5RT shows that the presence of low intensed pseudobochmite sample. SEM shows the morphology nanosized crystals along with platelets. TG/DTA analysis reveals the presence of maximum five stages elimination of templates. Carbon and nitrogen analysis shows that the presence of four template molecules per unitcell. C-13 MASNMR analysis shows the interaction of template with structure of the framework. Al-27 MASNMR shows the presence of small amount of octahedral co-ordination besides the rest are in tetrahedral co-ordination. P-31 MASNMR shows the presence of two environmentally different tetrahedrally co-ordinated phosphorous atoms.

}, keywords = {Aluminophosphate, Molecular sieve}, issn = {0019-4522}, author = {Venkatathri, N.} } @article { ISI:000236423600081, title = {Synthesis and characterization of aromatic copolyesters containing siloxane linkages in the polymer backbone}, journal = {Journal of Applied Polymer Science}, volume = {100}, number = {4}, year = {2006}, month = {MAY}, pages = {3222-3228}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A new series of aromatic copolyesters containing siloxane linkages were prepared by the melt polymerization of bisphenol A (BPA) with eugenol end-capped siloxane (EuSi), diphenyl terephthalate (DPT), and diphenyl isoplithalate (DPI) in varying ratio in the temperature range 220-290 degrees C under reduced pressure in the presence of dibutyl tin dilaurate (DBTL) catalyst. The siloxane copolyesters prepared were characterized by FTIR, H-1-NMR spectroscopy, solution viscosity, thermogravimetric analysis, differential scanning calorimetry, and X-ray diffraction. The effect of incorporation of eugenol end-capped siloxane was studied on the properties of BPA/DPI/DPT copolyesters. The glass-transition temperature of copolyester was decreased from 184 to 70 degrees C by incorporation of 20\% of eugenol endcapped siloxane. All copolyesters were found to be soluble in commonly used aprotic polar solvents and had film-forming properties. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {aromatic copolyesters, Bisphenol A, diphenyl isophthalate, diphenyl terephthalate, eugenol end-capped siloxane, melt polymerization}, issn = {0021-8995}, doi = {10.1002/app.22266}, author = {Waghmare, P. B. and Idage, Susheela B. and Menon, Shamal K. and Idage, Bhaskar B.} } @article { ISI:000242468700074, title = {Synthesis and characterization of cholesteric thermotropic liquid crystalline polyesters}, journal = {Journal of Applied Polymer Science}, volume = {103}, number = {2}, year = {2006}, month = {JAN}, pages = {1232-1237}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

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

}, keywords = {cholesteric liquid crystalline polymers (ChLCP), Differential scanning calorimetry (DSC), optical microscopy, solution polycondensation, Thermogravimetric analysis (TGA), viscosity}, issn = {0021-8995}, doi = {10.1002/app.24610}, author = {Jadhav, Sushilkumar A. and Chougule, Rahul R. and Shinde, Yogesh A. and Chavan, Nayaku} } @article { ISI:000237680000010, title = {Synthesis and characterization of copolyarylates using tin octoate as a catalyst}, journal = {Journal of Applied Polymer Science}, volume = {101}, number = {1}, year = {2006}, month = {JUL}, pages = {70-77}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A series of copolyarylates of bisphenol A (BPA) with varying ratios of diphenyl terephthalate (DPT) and diphenyl isophthalate (DPI) were prepared by melt polymerization at a temperature ranging from 200 to 290 degrees C under reduced pressure in the presence of tin octoate catalyst. Tin octoate catalyst has been extensively used for the preparation of biodegradable polymers namely, poly(lactic acid), poly(glycolic acid), and poly(lactide-glycolide) copolyesters. However, there are no reports on the preparation of copolyesters by melt polymerization using tin octoate catalyst. The effect of tin octoate catalyst was studied on the preparation of BPA/DPT/DPI copolyarylates. The copolyarylates were characterized by infrared and H-1 NMR spectroscopy, solution viscosity, thermogravimetric analysis, differential scanning calorimetry, and X-ray diffraction. The solution viscosities of copolyarylates were varied from 0.43 to 0.56 dL/g and the glass transition temperature (T-g) of copolyarylates was varied from 155 to 222 degrees C by varying the ratio of DPT and DPI. Most of the copolyarylates were found to be soluble in commonly used organic solvents and had film-forming properties. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {copolyarylates, diphenyl isophthalate, diphenyl terephthalate, melt polymerization, tin octoate}, issn = {0021-8995}, doi = {10.1002/app.22953}, author = {Waghmare, P. B. and Pathak, P. and Deshmukh, S. A. and Idage, Susheela B. and Idage, Bhaskar B.} } @article { ISI:000242818000001, title = {Synthesis and characterization of corrosion protective poly(2,5-dimethylaniline) coatings on copper}, journal = {Applied Surface Science}, volume = {253}, number = {3}, year = {2006}, month = {NOV}, pages = {1037-1045}, publisher = {ELSEVIER SCIENCE BV}, type = {Review}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {5-dimethylaniline) coatings, conducting polymers, Copper, Corrosion resistant coatings, cyclic voltammetry, Electrochemical polymerization, Poly(2}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2006.02.007}, author = {Shinde, Vandana and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000241320000007, title = {Synthesis and characterization of high silica content silicoaluminophosphate SAPO-35 from non-aqueous medium}, journal = {Catalysis Communications}, volume = {7}, number = {10}, year = {2006}, month = {OCT}, pages = {773-777}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

SAPO-35 with up to 15.6 Si atoms per unit cell have been synthesized, using hexamethyleneimine as template in ethylene glycol medium (molar ratio of silica in the reaction gets up to 2.5). Crystallinity and silicon incorporation was confirmed by XRD, XRF, TG/DTA, SEM, FT-IR and Al-27 and Si-29 MASNMR. These SAPO-35 materials with high Si concentration show higher activity for methanol to olefin reaction than samples prepared with up to 0.3 molar ratio of silica in the get. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {ammonia adsorption, FT-IR, MASNMR, methanol to olefin, non-aqueous medium, SAPO-35, SEM, TG/DTA, XRD}, issn = {1566-7367}, doi = {10.1016/j.catcom.2005.10.014}, author = {Venkatathri, N.} } @article { ISI:000241686000001, title = {Synthesis and characterization of main chain thermotropic liquid crystalline polyesters based on methyl 4-[4 {\textquoteleft}-(omega-hydroxyalkoxy)blphenyl-4-yl]-4-oxobutyrate: Effects of keto group and connectivity on mesophasic characteristics of biphenyl based AB-typ}, journal = {Reactive \& Functional Polymers}, volume = {66}, number = {10}, year = {2006}, month = {OCT}, pages = {1003-1013}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of biphenyl based main chain thermotropic liquid crystalline polyesters, poly(hydroxyalkoxybiphenyl oxobutyrate) [PRBOB-2,n (n = 2-8)], containing various methylene spacers was synthesized by using the novel AB-type self-polycondensation route from the monomers, methyl 4-[4{\textquoteright}-(omega-hydroxyalkoxy)biphenyl-4-yl]-4-oxobutyrate (HBOB-2,n). The mesophase characteristics of these polyesters was studied using DSC, polarized light optical microscopy and XRD techniques. The transition temperatures were found to decrease upon increasing the spacer length with an even polymer exhibiting higher transition temperature than the odd counterpart. The mesophase type also indicated an odd-even oscillation with the even members showing normal smectic phase and odd members exhibiting tilted smectic phase. The comparison of mesophasic characteristics of these polyesters with that of structurally similar AB-type polyesters indicated that the total number of atoms connecting the mesogen in a polymeric repeat unit governs the nature of the mesophase while the rigidity of the system dictates the magnitude of transition temperatures. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {AB approach, biphenyl mesogen, effect of connectivity, Liquid crystalline polyesters}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2006.01.019}, author = {Ranganathan, T. and Ramesh, C.} } @article { ISI:000240085700003, title = {Synthesis and characterization of novel hydrophobically end-capped poly(ethylene oxide)s [PEOs]}, journal = {Macromolecular Symposia}, volume = {241}, year = {2006}, note = {Indo-French Symposium on Fibrillar Networks as Advanced Materials, Inst Charles Sadron, Strasbourg, FRANCE, SEP 21-23, 2005}, month = {JUL}, pages = {9-13}, publisher = {Indo-French Ctr Promot Adv Res; Indian Assoc Cultivat Sci; Kolkata; GUENET; CNRS}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

We report on the synthesis and characterization of a novel hydrophobically modified end-capped poly(ethylene oxide)s. The end-capping agent of this polymer was designed and synthesised from a renewable resource material namely, gallic acid (i.e. 3,4,5-trihydroxybenzoic acid), the byproduct of tannin industry. The hydroxyl groups at 3, 4 and 5 positions of gallic acid provide an opportunity for varying the hydrophobicity of the compound. The hydrophobic end-capping compound, 3,4,5tridodecyloxy bezoylazide was prepared from gallic acid and PEGS with different chain lengths (of number average molecular weights, 10000 and 35000 g/mol) were endcapped. using 3,4,5-tridodecyloxybenzoyl azide. The quantitative analysis of end-capping in the polymers was demonstrated by H-1-NMR spectroscopy and the rheological studies were carried out in the surfactant solutions.

}, keywords = {end-capped PEOs, hydrophobically modified polymers, water-soluble polymers}, issn = {1022-1360}, doi = {10.1002/masy.200650902}, author = {Badiger, Manohar V. and Kadam, Vijay S. and Lele, Ashish K. and Wadgaonkar, P. P. and Hourdet, Dominique} } @article { ISI:000238709700070, title = {Synthesis and characterization of siloxane copolyesters containing phenylindane linkages}, journal = {Journal of Applied Polymer Science}, volume = {101}, number = {4}, year = {2006}, month = {AUG}, pages = {2668-2674}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A novel series of siloxane copolyesters containing 1,1,3-trimethyl-3-(p-hydroxyphenyl)-5-indanol (phenylindane bisphenol), diphenyl terephthalate (DPT), diphenyl isophthalate (DPI), and eugenol end-capped siloxanes in varying ratios were prepared at a temperature range of 200-290 degrees C under reduced pressure using dibutyl tin dilaurate catalyst by melt polycondensation. The siloxane-containing copolyesters were characterized by infrared and H-1 NMR spectroscopy, elemental analysis, solution viscosity, thermogravimetric analysis, differential scanning calorimetry, and X-ray diffraction. The effect of incorporation of siloxane moiety was studied on the properties of phenyl indane/DPT/DPI coplyester. The glass transition temperatures of copolyesters were decreased from 235 to 124 degrees C by incorporation of 10\% eugenol end-capped siloxane without affecting the thermal properties. All copolyesters were found to be soluble in commonly used organic solvents and had film forming properties. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {eugenol end capped siloxane, melt polymerization, phenylindane bisphenol, siloxane copolyesters}, issn = {0021-8995}, doi = {10.1002/app.23910}, author = {Waghmare, P. B. and Deshmukh, S. A. and Idage, Susheela B. and Idage, Bhaskar B.} } @article { ISI:000242793800020, title = {Synthesis and characterization of TAPO-31 molecular sieves using tripropylamine template}, journal = {Catalysis Communications}, volume = {7}, number = {12}, year = {2006}, month = {DEC}, pages = {1015-1021}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, doi = {10.1016/j.tet.2006.08.034}, author = {Swamy, K. C. Kumara and Balaraman, Ekambaram and Kumar, N. Satish} } @article { ISI:000239869200004, title = {Synthesis, characterization and catalytic properties of vanadium aluminophosphate molecular sieves VAPO-31 and VAPSO-Amr from non-aqueous media}, journal = {Applied Catalysis A-General}, volume = {310}, year = {2006}, month = {AUG}, pages = {31-39}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Vanadium samples containing aluminophosphate molecular sieve (VAPO-31) and amorphous vanadium silicoaluminophosphate (VAPSO-Amr) have been synthesized using hexamethyleneimine template from non-aqueous media for the first time. XRD and SEM analyses confirm the phase purity of the synthesized samples. FT-IR analysis suggests the incorporation of V4+ in the aluminophosphate framework. ESR, UV-vis spectroscopic, and XPS techniques and cyclicvoltametric studies confirm the incorporation of vanadium and reveal its presence in tetrahedral and square pyramidal environments in the as-synthesized samples. Cyclic voltammetry reveals the presence of two redox couples in VAPO-31. This catalyst is found to be a good oxidation catalyst. Although most of the properties of VAPO-31NA and VAPSO-Amr are similar, the latter can access more vanadium and V4+ ions. Compared to aqueous media samples, it can incorporate more vanadium especially V5+, ions and has been found to be better oxidation catalyst. The physicochemical properties also change with media. (C) 2006 Elsevier B.V. All rights reserved.

}, keywords = {cyclic voltammetry, ESR, FT-IR, MAS NMR, non-aqueous, SEM, TG/DTA, UV-Vis, VAPO-31, XPS, XRD}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.05.001}, author = {Venkatathri, N.} } @article { ISI:000241085200021, title = {Synthesis, characterization, and molecular modeling studies of novel polyurethanes based on 2,2 {\textquoteright}-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenol and 2,2 {\textquoteright}-[hexane-1,6-diylbis(nitrilomethylylidene)]diphenol hard segments}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {44}, number = {20}, year = {2006}, month = {OCT}, pages = {6032-6046}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Novel polyurethanes (PUS) based on 2,2 {\textquoteleft}-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenol and 2,2 {\textquoteleft}-[hexane-1,6-diylbis(nitrilomethylylidene)]diphenol as hard segments containing four aromatic diisocyanates (4,4 {\textquoteleft}-diphenylmethane diisocyanate, toluene 2,4-diisocyanate, isophorone diisocyanate, and hexamethylene diisocyanate) have been prepared. Fourier transform infrared, UV spectrophotometry, fluorescence spectroscopy, H-1 NMR and C-13 NMR spectroscopy, thermogravimetric analysis, and differential thermal analysis have been used to determine the structural characterization and thermal properties of the segmented PUS. All the PUS contain domains of both semicrystalline and amorphous structures, as indicated by X-ray diffraction. The acoustic properties have been calculated with the group contribution method. Molecular dynamics simulations have been performed on all the PUS to estimate the cohesive energy density and solubility parameter values, which compare well with the values calculated with the group contribution method. Furthermore, the simulation protocols have been applied to the PUS to produce X-ray diffraction plots to determine the phase morphology of the PUS. The surface properties of the PUS have been estimated from the simulation protocols. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {amorphous, hard segments, molecular dynamics, Morphology, polyurethanes, Schiff base containing polymers, Thermal properties}, issn = {0887-624X}, doi = {10.1002/pola.21686}, author = {Raghu, A. V. and Gadaginamath, G. S. and Jawalkar, S. S. and Halligudi, Shivaraj B. and Aminabhavi, T. A.} } @article { ISI:000239340200010, title = {Synthesis, characterization and optical properties of silver and gold nanowires embedded in mesoporous MCM-41}, journal = {Central European Journal of Chemistry}, volume = {4}, number = {2}, year = {2006}, month = {JUN}, pages = {317-328}, publisher = {SPRINGER HEIDELBERG}, type = {Article}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Uniform nanowires of silver and gold inside the channels of MCM-41 were prepared by controlled reduction of their respective metal salts with sodium borohydride (NaBH4). Presence of nanowires of silver and gold in MCM-41 were confirmed by high angle X-ray diffraction (XRD) data (peaks between 2 theta = 30 - 60 degrees) and transmission electron microscopy (TEM) confirmed the diameter of the nanowires. Diameter of nanowires is found to be similar to 2.8 nm which is coincident with channel diameter of MCM-41. Optical properties of these heterostructured materials Ag-MCM-41 and Au-MCM-41 reveals the presence of surface plasmon absorption peaks of silver and gold respectively, and the shift in the absorption bands are associated to agglomeration of clusters inside the channels. Room temperature photoluminescence spectra exhibits interesting optical properties as observed for direct band gap semiconductors. Non-linear optical properties (NLO) corresponding to second harmonic generation (SHG) values were also recorded for self supported films of these heterostructured materials. Enhanced optical non-linearity was found to be arising from a corresponding increase of local field near the surface plasmon resonance. Further enhancement in SHG was found with poling due to an induction of orientation order. (C) Versita Warsaw and Springer-Verlag Berlin Heidelberg. All rights reserved.

}, keywords = {Ag/Au nanowires, MCM-41, photoluminescence, SHG, TEM}, issn = {1895-1066}, doi = {10.2478/s11532-006-0006-4}, author = {Adhyapak, Parag V. and Karandikar, Prashant R. and Dadge, Jagdish W. and Aiyer, Rohini C. and Chandwadkar, Asha J.} } @article {Bender, title = {Synthesis, characterization, X-ray structure and DNA photocleavage by cis-dichloro bis(diimine) Co(III) complexes}, journal = {Journal of Inorganic Biochemistry}, volume = {100}, number = {3}, year = {2006}, month = {MAR}, pages = {331-343}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, keywords = {Acetic acid, acrylic acid, oxidative conversion of propane, rare earth-doped Mo-V-Sb catalysts}, issn = {0268-2575}, doi = {10.1016/j.jinorgbio.2005.11.022}, author = {Ghosh, Smita and Barve, A. C. and Kumbhar, A. A. and Kumbhar, A. S. and Puranik, Vedavati G. and Datar, P. A. and Sonawane, U. B. and Joshi, Rohini R.} } @article { ISI:000236814800021, title = {Synthesis of 4-aminomethyl-tetrahydrofuran-2-carboxylates with 2,4-cis and 2,4-trans relationships}, journal = {Tetrahedron}, volume = {62}, number = {17}, year = {2006}, month = {APR}, pages = {4110-4119}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

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

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

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

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

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

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

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

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

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

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

}, issn = {0022-2461}, doi = {10.1007/s10853-006-2375-7}, author = {Shinde, V. and Sainkar, S. R. and Gangal, S. A. and Patil, P. P.} } @article {43213, title = {Synthesis of cyclic peptides using a palladium-catalyzed enyne cycloisomerization}, journal = {Tetrahedron Letters}, volume = {47}, year = {2006}, month = {MAY}, pages = {3569-3571}, abstract = {In this letter, we report a palladium-catalyzed enyne cycloisomerization of linear peptides to generate small cyclic peptides embedded with a conjugated 1,3-diene. The utility of these resulting macrocyclic dienes is demonstrated by carrying out [4+2] cycloadditions with dienophiles to generate constrained cyclic peptides with cyclic linkers. (c) 2006 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2006.03.053}, author = {Balraju, V. and Dev, R. Vasu and Reddy, D. Srinivasa and Iqbal, Javed} } @article { ISI:000239739400010, title = {Synthesis of high alumina ZSM-5 molecular sieve with ethylene diamine as template}, journal = {Journal of the Indian Chemical Society}, volume = {83}, number = {7}, year = {2006}, month = {JUL}, pages = {686-691}, publisher = {INDIAN CHEMICAL SOC}, type = {Article}, address = {92 ACHARYA PRAFULLA CHANDRA RD ATTN:DR INDRAJIT KAR/EXEC SEC, CALCUTTA 700009, INDIA}, abstract = {

Attempts were made to investigate compositional constraints in the synthesis of pentasill molecular sieves, including aluminosilicate zeolites using ethylene diamine (C2DN) template, from the gel composition 1.85Na(2)O : aAl(2)O(3) : 15.2SiO(2) : 592H(2)O : 19.7C(2)DN in the temperature 177 degrees C for ten days. When a = 0.25 the product was ZSM-5 and then a = 1 the product was ZSM-35 and in between compositions the mixture of two were obtained. Reduce the time of crystallization time to 5 days give nanocrystalline material. XRD and FT-IR spectra in framework region of ZSM-5 synthesized using ethylene diamine template and without template are having similar pattern, however the intensity varies. Scanning electron microscopic picture of the both are varies. The structural stability of the zeolite ZSM-5 synthesized using no template was also found to be lower as compared with that for the ZSM-5 synthesized using ethylene diamine template. These differences. may result from the occluded excess sodium.

}, keywords = {ethylenediamine, Molecular sieve, zeolite}, issn = {0019-4522}, author = {Venkatathri, N.} } @article { ISI:000238624000017, title = {Synthesis of MgNb2O6 by coprecipitation}, journal = {Materials Research Bulletin}, volume = {41}, number = {7}, year = {2006}, month = {JUL}, pages = {1353-1356}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple coprecipitation technique was used successfully to synthesize fine powders of MgNb2O6 (MN) phase. An aqueous mixture of ammonium carbonate and ammonium hydroxide was used to precipitate Mg2+ and Nb5+ cations as carbonate and hydroxide respectively under basic conditions. This precipitate on heating at 750 degrees C produced MN powders. For comparison MN powders were prepared by the traditional solid state method. The phase content and the lattice parameters were studied by powder X-ray diffraction (XRD). Particle size and morphology of the particles were studied by scanning electron microscopy (SEM). (C) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2005.12.009}, author = {Navale, S. C. and Gaikwad, A. B. and Ravi, V.} } @article {42762, title = {Synthesis of neutral (PdII, PtII), Cationic (PdII), and water-induced anionic (PdII) complexes containing new mesocyclic thioether-aminophosphonite ligands and their application in the suzuki cross-coupling reaction}, journal = {Inorganic Chemistry}, volume = {45}, year = {2006}, month = {OCT}, pages = {9454{\textendash}9464}, type = {Article}, abstract = {

Mesocyclic thioether-aminophosphonite ligands, {-OC10H6(μ-S)C10H6O-}PNC4H8O (2a, 4-(dinaphtho[2,1-d:1{\textquoteleft},2{\textquoteleft}-g][1,3,6,2]dioxathiaphosphocin-4-yl)morpholine) and {-OC10H6(μ-S)C10H6O-}PNC4H8NCH3 (2b, 1-(dinaphtho[2,1-d:1{\textquoteleft},2{\textquoteleft}-g][1,3,6,2]dioxathiaphosphocin-4-yl)-4-methylpiperazine) are obtained by reacting {-OC10H6(μ-S)C10H6O-}PCl (1) with corresponding nucleophiles. The ligands 2a and 2b react with (PhCN)2PdCl2 or M(COD)Cl2 (M = PdII or PtII) to afford P-coordinated cis-complexes, [{(-OC10H6(μ-S)C10H6O-)PNC4H8X-κP}2MCl2] (3a, M = PdII, X = O; 3b, M = PdII, X = NMe; 4a, M = PtII, X = O; 4b, M = PtII, X = NMe). Compounds 2a and 2b, upon treatment with [Pd(η3-C3H5)Cl]2 in the presence of AgOTf, produce the P,S-chelated cationic complexes, [{(-OC10H6(μ-S)C10H6O-)PNC4H8X-κP,κS}Pd(η3-C3H5)](CF3SO3) (5a, X = O and 5b, X = NMe). Treatment of 2a and 2b with (PhCN)2PdCl2 in the presence of trace amount of H2O affords P,S-chelated anionic complexes, [{(-OC10H6(μ-S)C10H6O-)P(O)-κP,κS}PdCl2](H2NC4H8X) (6a, X = O and 6b, X = NMe), via P-N bond cleavage. The crystal structures of compounds 1, 2a, 2b, 4a, and 6a are reported. Compound 6a is a rare example of crystallographically characterized anionic transition metal complex containing a thioether-phosphonate ligand. Most of these palladium complexes proved to be very active catalysts for the Suzuki-Miyaura reaction with excellent turnover number ((TON), up to 9.2 {\texttimes} 104 using complex 6a as a catalyst).

}, doi = {10.1021/ic061419e}, author = {Punji, Benudhar and Mague, Joel T. and Balakrishna, Maravanji S.} } @article { ISI:000236986000027, title = {Synthesis of spiroannulated dihydroisobenzofuranylated monosaccharides}, journal = {Tetrahedron Letters}, volume = {47}, number = {19}, year = {2006}, month = {MAY}, pages = {3307-3310}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of spiroannulated dihydroisobenzofurans is achieved using easily accessible carbohydrate-derived furanyl propargyl ethers via an AuCl3 promoted intramolecular Diels-Alder (IMDA) reaction. The scope of the spiroannulation protocol was demonstrated using a diverse range of pentofuranosyl, hexofuransoyl and hexopyranosyl derived substrates in order to synthesize spiroannulated dihydroisobenzofurans. The reaction is high yielding, moisture tolerant, fast and uses only a catalytic amount of AuCl3. (c) 2006 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.03.016}, author = {Maurya, S. K. and Hotha, Srinivas} } @article { ISI:000236922600018, title = {Synthesis of star shaped Ba1-xSrTiO3 (BST) powders}, journal = {Materials Chemistry and Physics}, volume = {97}, number = {2-3}, year = {2006}, month = {JUN}, pages = {295-300}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Uniform star shaped strontium substituted barium titanyl oxalate Ba1-xSrxTiO(C2O4)(2) (BSTO)/strontium substituted barium titanate, Ba1-xSrxTiO3 (BST) powders were prepared via a simple chemical co-precipitation route with x = 0.15, 0.20, and 0.25. The process involved an addition of 0.1 M solution of titanium tetrabutoxide (BTM) in isopropanol (IPA) to 0.1 M oxalic acid in IPA containing 0.2 M of H2O to produce titanyl oxalate precipitate which was further reacted with 0.1 M solution of ammonium oxalate to obtain 0.1 M clear homogeneous solution of ammonium titanyl oxalate (ATO) with pH 4.25 containing titanium in the form of soluble anionic oxalate species [TiO(C2O4)(2)(2-)]. Stoichiometric quantities of barium hydroxide and strontium nitrate were dissolved in distilled water and its pH was adjusted nearly equal to that of ATO (similar to 4.15) by drop wise addition of dilute HNO3 solution 1:10 (v/v). The addition of this mixed cation precursor solution to ATO solution resulted in precipitation of strontium substituted barium titanyl oxalate (BSTO) having star shaped morphology. The calcination of BSTO precursors at 730 degrees C for 4 h in air produced cubic BST powders (a(o) similar to 4.001, 3.996 and 3.991 angstrom for x = 0. 15, 0.20, 0.25, respectively) having star shaped morphology. SEM, XRD and IFTIR techniques were used to characterize the BSTO/BST powders. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {barium-strontium titanate, barium-strontium titanyl oxalate, capping agent, Co-precipitation, Morphology}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.08.013}, author = {Khollam, Y. B. and Potdar, H. S. and Deshpande, S. B. and Gaikwad, A. B.} } @article { ISI:000239885000005, title = {Synthesis of the spiro fused beta-lactone-gamma-lactam segment of oxazolomycin}, journal = {Tetrahedron Letters}, volume = {47}, number = {34}, year = {2006}, month = {AUG}, pages = {6031-6035}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An effective synthetic strategy for construction of the novel spiro-bicyclic beta-lactone-gamma-lactam system present in oxazolomycin has been demonstrated. The 3,4-disubstituted pyrrolidine ring system was constructed via an Evans aldol reaction. The spiro-beta-lactone ring was elaborated from a gem-hydroxymethyl moiety that was successfully installed by an aldol followed by a crossed Cannizzaro reaction. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {crossed Cannizzaro reaction, Evans{\textquoteright} aldol reaction, Garner{\textquoteright}s aldehyde, intramolecular Mitsunobu reaction, ruthenium tetroxide oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.06.117}, author = {Mohapatra, Debendra K. and Mondal, Dhananjoy and Gonnade, Rajesh G. and Chorghade, Mukund S. and Gurjar, Mukund K.} } @article { ISI:000238012800020, title = {Synthetic studies toward macrocidins: an RCM approach for the construction of the central cyclic core}, journal = {Tetrahedron Letters}, volume = {47}, number = {24}, year = {2006}, month = {JUN}, pages = {4061-4064}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The central macrocyclic core of the macrocidins was constructed using RCM as the key reaction. A preliminary investigation dealing with the key reactions, that is, the Dieckmann cyclization and the RCM, revealed that RCM of the beta-ketoamide is better than RCM of the corresponding acyltetramic acid. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {acyltetramic acid, Lacey-Dieckmann cyclization, macrocidins, Ring closing metathesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.03.192}, author = {Ramana, C. V. and Mondal, Mohabul A. and Puranik, Vedavati G. and Gurjar, Mukund K.} } @article { ISI:000244183400009, title = {[SbW9O33]-based polyoxometalate combined with a phase transfer catalyst: A highly effective catalyst system for selective oxidation of alcohols with H2O2, and spectroscopic investigation}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {262}, number = {1-2}, year = {2007}, month = {FEB}, pages = {52-58}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Na-9[SbW9O33] in conjunction with a phase transfer catalyst, methyltricapryl ammonium chloride, is highly efficient for selective oxidation of variety of alcohols with aq. H2O2 to yield corresponding carbonyls. Most importantly the reactions are carried out in the absence of any organic solvents especially halogenated solvents. In case of allylic alcohols, the catalyst is highly selective for the alcohol oxidation reaction and least selective for epoxidation reaction in the presence of aq. H2O2. IR studies support the formation of W-peroxo intermediate species and also support the stability of the catalyst in the presence of phase transfer compound under the present experimental condition. The catalyst can be reused after careful decomposition of peroxide of the final reaction mixture. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Alcohol, Aq.H2O2, Nag[SbW9O33], Oxidation, Phase transfer catalyst, Polyoxometalate, polyoxotungstate}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.08.050}, author = {Ingle, Rohit H. and Raj, N. K. Kala and Manikandan, Palanichamy} } @article { ISI:000245500200046, title = {Scanning tunneling microscopy/spectroscopy on Au nanoparticles assembled using lauryl amine (LAM) and octadecane thiol (ODT)}, journal = {Applied Surface Science}, volume = {253}, number = {11}, year = {2007}, month = {MAR}, pages = {5109-5115}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In this report, we demonstrate scanning tunneling microscopy and spectroscopy on thin filins of lauryl amine (LAM) and octadecane thiol (ODT) protected gold nanoparticles. We show that the zero current in the I-V curves (measure of Coulomb blockade (CB) of the nanoparticles) depends on the properties of the spacer molecule. In both the cases the gap voltage and the tunneling current at which the images are obtained are quite different which is further confirmed from the fitting performed based on the orthodox theory. The values for the capacitance and charging energy obtained from the fitting for ODT capped particles are comparable to the values obtained using spherical capacitor model. In contrast, values of these parameters were found to differ for LAM capped nanoparticles. While imaging, ODT capped nanoparticles were observed to drag along the scan direction leading to ordering of particles. Images of LAM capped gold nanoparticles show local ordering in self-assembly of particles although no evidence of large scale ordering in spatial Fourier transform was seen. These observations suggest that nanoparticles with larger CB would be intaged nonevasively in contrast to small CB systems for which tip induced effects will be dominant. In both the systems the current was found to rise faster than theoretical curves based on the orthodox theory suggesting that mechanism of charge transfer in this case may involve field emission rather than tunneling through a rectangular barrier. An attempt has been made to explain charge transfer based on Fowler-Nordheim (F-N) plots of the I-V curves. (c) 2006 Elsevier B.V All rights reserved.

}, keywords = {Nanostructures, scanning tunneling microscopy (STM)}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2006.11.038}, author = {Datar, Suwarna and Chaudhary, Minakshi V. and Sastry, Murali and Dharmadhikari, C. V.} } @article { ISI:000245534900008, title = {Selective mono-N-methylation of aniline substrates on Cu1-xZnxFe2O4}, journal = {Applied Catalysis A-General}, volume = {320}, year = {2007}, month = {MAR}, pages = {64-68}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Selective mono-N-methylation of substituted anilines (o-, m- and p-toluidines, 2,6-xylidine, p-anisidine and p-aminoacetophenone) was carried out with methanol as methylating agent under vapor phase reaction conditions on Cu1-xZnxFe2O4 systems. The catalytic reactions with each aniline substrate were carried out at optimum reaction conditions (MeOH:anilines:water = 3: 1: 1, space velocity = 3.58 h(-1)) between 543 and 603 K. The presence of a ring-directing group did not have any significant influence on the N-methylaniline(s) selectivity, which remains very high; the same initial conversion/yield was observed for at least 11 h. Electronic effects due to different groups in the above aniline substrates influence the reactivity of the substrates in terms of conversion and yield. Toluidine reactivity varies with respect to the position (ortho, meta and para) of the methyl group on the phenyl ring. Para-substituted anilines (p-toluidine and p-anisidine) exhibit comparable catalytic activity, while p-aminoacetophenone shows higher conversion. The perpendicular orientation of toluidine substrates on catalyst surfaces influences the conversion and N-methyltoluidine yield. Increased crowding at ortho-position and hence steric hindrance (aniline \> o-toluidine \> 2,6-xylidine) restrict the substrates interaction with the catalyst surface, and 2,6-xylidine shows no reactivity. The best catalytic activity observed with Cu0.5Zn0.5Fe2O4 was due to a heterogeneous distribution of metal ions on the surface with Zn serving as active spacer group as well as methyl species source. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {mono-N-methylation, N-methylaniline, N-methylation, selective N-methvlation, spinel}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.12.016}, author = {Vijayaraj, Munusamy and Gopinath, Chinnakonda S.} } @article {36}, title = {Selective oxidation of anthracene using inorganic-organic hybrid materials based on molybdovanadophosphoric acids}, journal = {Journal of Catalysis}, volume = {247}, number = {2}, year = {2007}, month = {APR}, pages = {166-175}, publisher = {EUROPEAN POLYMER FEDERATION}, type = {Article}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {

{Inorganic-organic hybrid materials were synthesized by immobilization of molybdovanadophosphoric acids onto mesoporous silicas, such as MCM-41, MCM-48, and SBA-15, through an organic linker. 12-Molybdovanadophosphoric acids of the general formula H3+xPMO12-xVxO40 (x = 0-3).nH(2)O, such as H-4[

}, keywords = {EPDM, Photostabilization, polymeric HALS}, issn = {1618-7229}, doi = {10.1016/j.jcat.2007.01.020}, author = {Bordoloi, Ankur and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000247606200011, title = {Semi-synthesis of deoxyartemisinin}, journal = {Mendeleev Communications}, volume = {17}, number = {1}, year = {2007}, month = {JAN}, pages = {27-28}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The reaction of artemisinin with aluminium-nickel chloride hexahydrate in THF or nickel boride in MeOH furnishes deoxyartemisinin in an excellent yield.

}, issn = {0959-9436}, doi = {10.1016/j.mencom.2007.01.011}, author = {Bhattacharya, Asish K. and Pathak, Ashish K. and Sharma, Ram P.} } @article { ISI:000254309400007, title = {Shape resonance in electron molecule scattering using coupled cluster method}, journal = {Indian Journal of Physics and Proceedings of the Indian Association for the Cultivation of Science}, volume = {81}, number = {10}, year = {2007}, month = {OCT}, pages = {1061-1067}, publisher = {INDIAN ASSOC CULTIVATION SCIENCE}, type = {Article}, address = {INDIAN J PHYSICS, JADAVPUR, KOLKATA 700 032, INDIA}, abstract = {

The Fock space multi-reference coupled-cluster (FSMRCC) method along with the complex absorbing potential (CAP) is used for the study of the shape resonance energy and width in an electron molecule collision. We study the shape resonances in e(-) -H2CO and e(-) -CO.

}, keywords = {electron-molecule scattering, multi-reference coupled-cluster}, issn = {0973-1458}, author = {Pal, Sourav and Vaval, Nayana and Sajeev, Y.} } @article { ISI:000252029800038, title = {Short and efficient synthesis of rubrolide E}, journal = {Synthetic Communications}, volume = {37}, number = {22-24}, year = {2007}, month = {DEC}, pages = {4253-4263}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Short and efficient synthesis of rubrolide E from commercially available 4-methoxyacetophenone, employing ring-closing metathesis, Knoevenagel condensation, and Reformatsky reactions, are the key steps are described.

}, keywords = {antibiotics, antitumor, Epoxide, Natural products, Total synthesis}, issn = {0039-7911}, doi = {10.1080/00397910701575665}, author = {Chavan, Subhash P. and Pathak, Ashok B. and Pandey, Ankur and Kalkote, Uttam R.} } @article { ISI:000250545100010, title = {Short and efficient synthetic strategy for the total syntheses of (S)-(+)- and (R)-(-)-Plakolide A}, journal = {European Journal of Organic Chemistry}, number = {30}, year = {2007}, month = {OCT}, pages = {5059-5063}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Concise and efficient total syntheses of anticancer agents (S)(+)-Plakolide A and (R)-(-)-Plakolide A were accomplished in eight steps and an overall yield of 39 \% starting from geraniol. The key steps in our strategy are Sharpless asymmetric epoxidation, double elimination, and Stille coupling reactions.

}, keywords = {Cross-coupling, epoxidation, inhibitors, olefination}, issn = {1434-193X}, doi = {10.1002/ejoc.200700401}, author = {Mohapatra, Debendra K. and Pramanik, Chintnoy and Chorghade, Mukund S. and Gurjar, Mukund K.} } @article {17}, title = {Short synthesis of (+)-harzialactone A and (R)-(+)-4-hexanolide via proline-catalyzed sequential alpha-aminooxylation and horner-wadsworth-emmons olefination of aldehydes}, journal = {Tetrahedron-Asymmetry}, volume = {18}, number = {16}, year = {2007}, month = {AUG}, pages = {1795-1798}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

{In melts, ring polymers assume more compact conformations compared to linear chains with the same degree of polymerization N-r, i.e. R-r similar to N-r(nu) with nu approximate to 0.4, where R-r is the radius of gyration. Upon gradually substituting some of the ring polymers with linear chains, the ring molecules swell. In the limit of infinite dilution, their size scales as R-r similar to N-r(0.5). We present a scaling argument based on the blob model to capture this transition. Ring-linear blends are modeled as a semidilute solution of ring polymers in a theta-solvent consisting of linear chains. The model predicts that the size of the ring polymer remains unchanged up to the overlap concentration c(r)(*

}, keywords = {core-shell nanoparticles, Gold, HRTEM, interfacial seeded growth, Silver, XPS}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2007.07.031}, author = {Kotkar, Shriram P. and Suryavanshi, Gurunath S. and Sudalai, Arumugarn} } @article { ISI:000246832500007, title = {Simple and efficient approach to 1,3-aminoalcohols: application to the synthesis of (+)-negamycin}, journal = {Tetrahedron Letter}, volume = {48}, number = {22}, year = {2007}, month = {MAY}, pages = {3793-3796}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and practical enantioselective synthesis of (+)-negamycin has been achieved in high enantio- and diastereomeric excess using an iterative Jacobsen{\textquoteright}s hydrolytic kinetic resolution as the key step. (C) 2007 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.03.169}, author = {Naidu, S. Vasudeva and Kumar, Pradeep} } @article { ISI:000243365800018, title = {Simple and efficient synthesis of thysanone methyl ether}, journal = {Tetrahedron}, volume = {63}, number = {1}, year = {2007}, month = {JAN}, pages = {166-170}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of thysanone methyl ether is achieved by employing semivioxanthin methyl ether, which in turn is prepared by the tandem Michael addition of an anion of orsellinate to a substituted dihydropyrone. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {human pathogen, Michael addition, orsellinate derivative, semivioxanthin}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.10.038}, author = {Bulbule, Vivek J. and Koranne, Priti S. and Deshpande, Vishnu H. and Borate, Hanumant B.} } @article { ISI:000246532500010, title = {Simulation of viscoelastic flows of polymer solutions in abrupt contractions using an arbitrary lagrangian eulerian (ALE) based finite element method}, journal = {Journal of Non-Newtonian Fluid Mechanics}, volume = {143}, number = {2-3}, year = {2007}, month = {MAY}, pages = {157-169}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We present a method for simulation of viscoelastic flows using an Arbitrary Lagrangian Eulerian (ALE) technique based finite element formulation. The ALE technique provides advantages of both Lagrangian and Eulerian frameworks by allowing the computational mesh to move in an arbitrary manner, independent of the material motion. In the present method, a fractional step ALE technique is employed in which the Lagrangian phase of material motion and convection arising out of mesh motion are decoupled. In the first step the relevant flow and constitutive equations are solved in Lagrangian framework. The simpler representation of polymer constitutive equations in a Lagrangian framework avoids the difficulties associated with convective terms thereby resulting in a robust numerical formulation. In the second step the mesh is moved in ALE mode and the associated convection of the stress is performed using a Godunov type scheme. This ALE technique is easy to implement and can accurately simulate the complex viscoelastic behaviour of transient polymer flow through complex geometries. In the present study, steady flows through abrupt contractions of planar and axisymmetric geometries are studied by performing transient flow simulations until steady state is achieved. The proposed method is validated with previously published numerical and experimental studies for polymer solutions obeying the Oldroyd B and Phan Thien Tanner (PTT) models. The simulated corner and lip vortex enhancement mechanism and flow behavior are in good agreement with experimentally obtained flow visualization photographs. The strength of the proposed method lies in its ability to simulate free surface flows such as swell. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {abrupt contraction, Arbitrary Lagrangian Eulerian, finite element, simulations}, issn = {0377-0257}, doi = {10.1016/j.jnnfm.2007.02.009}, author = {Ganvir, Vivek and Lele, Ashish K. and Thaokar, Rochish and Gautham, Basavarsu P.} } @article { ISI:000243095400015, title = {Singlejet fluidized beds: experiments and CFD simulations with glass and polypropylene particles}, journal = {Chemical Engineering Science}, volume = {62}, number = {1-2}, year = {2007}, month = {JAN}, pages = {167-183}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Understanding hydrodynamics of bubbling fluidized beds is crucial in proper design and scale up of these beds. CFD models have shown promise in gaining this understanding. In order to generate confidence in CFD models, predicted time averaged and dynamical characteristics of the bubbling fluidized beds need to be validated against experimental data. This paper describes such studies with rectangular fluidized beds operated with a central jet. Digital image analysis and analysis of wall pressure fluctuations were used for this characterization. Fluidization of two types of particles, glass and polypropylene (PP) was studied at two different initial bed heights of H/D = 1 and 2 with three central jet velocities 5, 10 and 20 m/s. Time averaged as well as dynamical characteristics were studied. The Eulerian-Eulerian two fluid model based on kinetic theory of granular flows was used to simulate these experiments. The predicted results were compared with the experimental data and previously published correlations. Although, there is agreement with experimental data in some aspects, complete agreement was not found. The presented experimental data and comparison with CFD predictions will provide useful basis for further work on understanding bubbling fluidized beds. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {CFD, fluidized beds, hydrodynamics, image analysis, pressure fluctuations, single jet}, issn = {0009-2509}, doi = {10.1016/j.ces.2006.08.037}, author = {Utikar, Ranjeet P. and Ranade, Vivek V.} } @article { ISI:000246157500021, title = {Solid-state structures of 4-carboxyphenylboronic acid and its hydrates}, journal = {Crystal Growth \& Design}, volume = {7}, number = {5}, year = {2007}, month = {MAY}, pages = {944-949}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Solid-state structures of 4-carboxyphenylboronic acid (1a) and its mono- and quarter-hydrates (1b and 1c, respectively) obtained by crystallization from different solvents, acetone, methanol, and 2-proponal, respectively, have been reported. In the anhydrous and monohydrate structures (1a and 1b), the H-atoms on the -B(OH)(2) functional group exist in syn-syn conformation, but syn-anti conformation was found in the quarter-hydrate structure. While 1a and 1b crystallize through interactions between -B(OH)(2) and -COOH groups (heteromeric), homomeric interactions of the functional groups (COOH center dot center dot center dot COOH and B(OH)(2)center dot center dot center dot B(OH)(2)) were observed in 1c. In addition, although similar interactions prevail in 1a and 1b, the latter crystallizes in a noncentrosymmetric space group Ccc2, registering itself as a unique structure with unusual catenation features with the aid of water molecules. However, 1a and 1c show many common features in the molecular arrangement in the crystal lattices with the formation of sheet structures.

}, issn = {1528-7483}, doi = {10.1021/cg060860c}, author = {SeethaLekshmi, Nanappan and Pedireddi, Venkateswara Rao} } @article { ISI:000244666100011, title = {Solvent-free selective oxidation of benzyl alcohol by molecular oxygen over uranium oxide supported nano-gold catalyst for the production of chlorine-free benzaldehyde}, journal = {Green Chemistry}, volume = {9}, number = {3}, year = {2007}, month = {JAN}, pages = {267-272}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A detailed investigation on the production of chlorine-free benzaldehyde in the solvent-free oxidation of benzyl alcohol by O-2 over nano-gold supported on U3O8 has been carried out. Influence of different catalyst parameters (different methods of gold deposition on U3O8, gold loading and particle size, and catalyst calcination temperature) and reaction conditions (reaction period and temperature) on the process performance has been studied. The catalyst containing gold at higher concentration and with smaller gold particles showed the better process performance (higher benzyl alcohol conversion and benzaldehyde yield or selectivity). The benzyl alcohol conversion is largely increased but the selectivity for benzaldehyde is slightly decreased (while that of benzyl benzoate is increased) with increasing the reaction period or temperature. In the presence of solvent (viz. tolune, p-xylene, DMF or DMSO), the process performance was found to be inferior to that observed in the absence of any solvent. Substituted benzyl alcohols also can be oxidized by O-2 to corresponding aldehydes with high yield and/or selectivity, using the catalyst in the absence of any solvent.

}, issn = {1463-9262}, doi = {10.1039/b608304h}, author = {Choudhary, Vasant R. and Jha, Rani and Jana, Prabhas} } @article { ISI:000250399300023, title = {Spectroscopic and catalytic properties of SBA-15 molecular sieves functionalized with acidic and basic moieties}, journal = {Microporous and Mesoporous Materials}, volume = {105}, number = {1-2}, year = {2007}, month = {SEP}, pages = {170-180}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

SBA-15, grafted with Lewis acidic Ti4+ ions and basic amines (imidazole, guanine or adenine) exhibited high catalytic activity in the cycloaddition of CO2 to epoxides yielding selectively cyclic carbonate precursors of polycarbonates. In the second class of materials, the surface of SBA-15 was grafted with thiol or sulfonic acid functionalities. Mn(Salen)Cl was, then, covalently bound to these acidic groups. The resulting catalysts show enhanced chemo-, regio- and stereo-selective catalytic activity in the epoxidation of terpenes such as R-(+)limonene, alpha-pinene and Delta-carene with molecular oxygen. The acid-base properties of these modified SBA- 15 materials were investigated by temperature-programmed desorption and diffuse-reflectance infrared Fourier transform spectroscopy. Ammonia and pyridine were used as probe molecules for acidic sites and CO2 for basic sites. Acidic Ti sites activated epoxides and the grafted basic amines activated CO2. The simultaneous presence of both acidic and basic sites on amine/adenine-functionalized Ti-SBA-15 enabled synergistic enhancement in catalytic activity in the cycloaddition reaction of CO2 to epoxides. When Mn(Salen)Cl was immobilized on thiol or sulfonic acid-functionalized SBA-15, the oxidation state of Mn decreased from +3 to +2. The organo-acidic functional groups (thiol or sulfonic acid) axialk, coordinated to Mn ions modified the electronic structure of Mn ions enhancing the activity and selectivity of Mn(Salen) complexes in aerial oxidation reactions. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {aerial oxidation of terpenes, CO2 utilization, cyclic carbonates synthesis, epoxidation, functionalization with acidic and basic moieties, immobilization of Mn complexes, organo-functionalization of SBA-15, solid acid-base catalysts}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.05.024}, author = {Srinivas, D. and Ratnasamy, P.} } @article { ISI:000244909500021, title = {Spider silk as an active scaffold in the assembly of gold nanoparticles and application of the gold-silk bioconjugate in vapor sensing}, journal = {Small}, volume = {3}, number = {3}, year = {2007}, month = {MAR}, pages = {466-473}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Spider silk is being viewed with interest by materials scientists due to its excellent resilience and mechanical properties. In this paper we show that spider silk is an excellent scaffold for the one-step synthesis and assembly of gold nanoparticles. Formation of a gold nanoparticle-spider-silk bioconjugate material is accomplished by simple reaction of the fibers with aqueous chloroauric acid. The gold nanoparticles thus formed are strongly bound to the spider-silk fiber surface enabling study of the electrical properties of the nano bioconjugate. Using the well-known contraction/expansion behavior of the fibers in solvents of varying polarity, we show that exposure of the gold nanoparticle-spider silk bioconjugate to vapors of methanol and chloroform leads to changes in electrical transport through the nanoparticles and thus, the possibility of developing a vapor sensor. The bioconjugate shows excellent response time and cycling efficiency to methanol vapors. The activation energy of electron transport from one gold nanoparticle to another in the nanobiocojugate was determined from temperature-dependent electron-transport measurements to be approximately 1.7 eV.

}, keywords = {bioconjugates, Gold, Nanoparticles, sensors, spider silk}, issn = {1613-6810}, doi = {10.1002/smll.200600413}, author = {Singh, Amit and Hede, Shantesh and Sastry, Murali} } @article { ISI:000244413600017, title = {Spinning wave motion in frontal polymerization}, journal = {Chemical Engineering Science}, volume = {62}, number = {5}, year = {2007}, month = {MAR}, pages = {1448-1455}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We present a mathematical model describing dynamics of spinning waves which propagate during frontal polymerization reaction taking place in a cylindrical reactor tube. The self-organization of spatio-temporal solution of wave equations due to interplay between thermal diffusion and kinetics gives rise to pattern formation. We begin with a fundamental equation of motion of radial coordinate after defining an asymptotic phase for spinmode. The motion is analyzed near a critical (Hopf) point and a perturbation solution is used to obtain patterns for a case of preparation of poly(2-hydroxyethyl methacrylate) (PHEMA) via frontal polymerization reaction. The model uses the distance as seen in photograph taken using scanning electron microscope (SEM) from which motion begins around core of spiral and calculates pitch of spiral which matches closely with experimental observation in micrograph. Also the model predicts qualitatively the ramp wave and spiral wave motion as observed under SEM. Both these results are reported in open literature for the first time to our best knowledge. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {frontal polymerization, spinning wave, spiral motion, wave dynamics}, issn = {0009-2509}, doi = {10.1016/j.ces.2006.11.037}, author = {Inamdar, Satish R. and Pujari, N. S. and Karimi, I. A. and Ponrathnam, S. and Tayal, R. K. and Kulkarni, B. D.} } @article {34}, title = {Stabilization of gamma-sterilized biomedical polyolefins by synergistic mixtures of oligomeric stabilizers. part II. polypropylene matrix}, journal = {Polymer Degradation and Stability}, volume = {92}, number = {2}, year = {2007}, month = {FEB}, pages = {299-309}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0167-577X}, author = {Alariqi, Sameh A. S. and Kumar, A. Pratheep and Rao, B. S. M. and Singh, R. P.} } @article { ISI:000251217800008, title = {Stereoselective hydrogenation of tert-butylphenols over charcoal-supported rhodium catalyst in supercritical carbon dioxide solvent}, journal = {Journal of Catalysis}, volume = {252}, number = {1}, year = {2007}, month = {NOV}, pages = {57-68}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Hydrogenation of 2-, 3-, and 4-tert-butylphenols was studied over a charcoal- supported rhodium catalyst in supercritical carbon dioxide (scCO(2)) solvent, and the results were compared with those in organic solvents. In the hydrogenation of 4-tert-butylphenol, a higher cis ratio for 4-tert-butylcyclohexanol (0.79) was obtained in scCO(2) (10 MPa) than in 2-propanol (0.70) and cyclohexane (0.64) under similar conditions of hydrogen pressure (2 MPa) and temperature (313 K). In the case of 2-tert-butylphenol, the cis ratio for 2-tert-butylcyclohexanol was as high as 0.95 in both scCO(2) and 2-propanol (hydrogen pressure, 2 MPa; reaction temperature, 313 K). In the case of hydrogenation of 3-tert-butylphenol, the cis ratio decreased with the progression of consecutive hydrogenation of 3-tert-butylcyclohexanone intermediate. In addition, the stereoselectivity to cis-tert-butylcyclohexanols in scCO(2) was improved in the presence of hydrochloric acid. It was found that the protons of hydrochloric acid accelerated the hydrogenation of the intermediates, tert-butylcyclohexanones, to the corresponding cis-tert-butylcyclohexanols. The hydrogenation mechanism of tert-butylphenols, particularly the enhanced selectivity to cis-tert-butylcyclohexanols in scCO(2), is postulated based on the observed reaction profiles. (c) 2007 Elsevier Inc. All rights reserved.

}, keywords = {charcoal-supported rhodium catalyst, stereoselective hydrogenation, supercritical carbon dioxide solvent, tert-butylcyclohexanol}, issn = {0021-9517}, doi = {10.1016/j.jcat.2007.08.01}, author = {Hiyoshi, Norihito and Rode, Chandrashekhar V. and Sato, Osamu and Tetsuka, Hiroyuki and Shirai, Masayuki} } @article {42464, title = {Stereoselective synthesis of 3,4-trans-disubstituted γ-lactams by cerium(iv) ammonium nitrate mediated radical cyclization of cinnamamides}, journal = {Synthesis-Stuttgart}, year = {2007}, month = {MAR}, pages = {1179-1184}, type = {Article}, abstract = {

A facile synthesis of 3,4-trans-disubstituted γ-lactams was developed, consisting of the radical cyclization of cinnam-amides mediated by cerium(IV) ammonium nitrate. The single-electron-transfer (SET) reaction of the methoxystyrenyl moiety mediated by cerium(IV) ammonium nitrate gives rise to a cation radical, whose cyclization followed by reaction with oxygen and methanol generates 3,4-trans-disubstituted γ-lactams.

}, keywords = {cerium(IV) ammonium nitrate - intramolecular cyclization - cinnamamides - single electron transfer - γ-lactams}, doi = {10.1055/s-2007-965981}, author = {Nair, Vijay and Mohanan, Kishor and Suja, Tachapully D. and Biju, Akkattu T.} } @article { ISI:000244732800019, title = {Stereoselective synthesis of 3-alkylidene/alkylazetidin-2-ones from azetidin-2,3-diones}, journal = {Tetrahedron}, volume = {63}, number = {11}, year = {2007}, month = {MAR}, pages = {2524-2534}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Azetidin-2,3-diones have been used as synthons for the synthesis of C-3 alkylidene/alkylazetidin-2-ones. Some of the 3-alkylazetidin-2-ones are well known for their cholesterol absorption inhibitor activity. A regio and stereoselective Grignard reaction on a keto group followed by dehydration using PPh3/CCl4 reagent is a key step in this synthesis. Hydrogenation of the 3-alkylideneazetidin-2-ones provided stereoselectively cis-3-alkylazetidin-2-ones in very good yields. (c) 2006 Published by Elsevier Ltd.

}, keywords = {3-diones, azetidin-2, azetidin-2-ones, beta-lactam, Grignard reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.12.010}, author = {Tiwari, Dharmendra Kumar and Shaikh, Ashif Y. and Pavase, Laxmikant S. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000252091800019, title = {Stereoselective synthesis of spiro-beta-lactams using D-(+)-glucose derived chiral pool: remarkable influence of the torquoelectronic effect}, journal = {Tetrahedron}, volume = {63}, number = {37}, year = {2007}, month = {SEP}, pages = {9179-9187}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Diastereoselective synthesis of spiro-beta-lactams via [2+2] cycloaddition reaction of imines and chiral ketenes is described. The chiral ketene was prepared from commercially available, inexpensive D-glucose. Although, theoretically four diastereomers are possible, the reaction yielded only two diastereomers stereoselectively in good to moderate yields. The stereochemical outcome of the reaction was in accordance with the torquoelectronic model. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {imines, ketenes, spiro-beta-lactams, Staudinger reaction, stereoselective synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.06.073}, author = {Chincholkar, Pinak M. and Puranik, Vedavati G. and Deshmukh, A. R. A. S.} } @article {42817, title = {Steric control in pd-mediated cycloisomerization of sugar alkynols: documentation of a rare allylic epimerization}, journal = {Tetrahedron Letters}, volume = {48}, year = {2007}, month = {JUL}, pages = {4771-4774}, type = {Article}, abstract = {

Pd-mediated cycloisomerization of C3-alkynylated glucofuranosyl derivatives revealed a dominance of steric factors over electronic factors. However, the intermediate glycals were epimerized prior to the ketalization and afforded the more stable cis-fused bicyclic ketals. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Bis-Homopropargylic Alcohols; Oriented Organic-Synthesis;Nucleophilic-Attack; Room-Temperature; Palladium; Chemistry; Heterocycles;Complexes; Transformations; Sonogashira}, doi = {10.1016/j.tetlet.2007.04.133}, author = {Ramana, Chepuri V. and Patel, Pitarnbar and Gonnade, Rajesh G.} } @article { ISI:000244820500020, title = {Strain improvement of penicillium janthinellum ncim 1171 for increased cellulase production}, journal = {Bioresource Technology}, volume = {98}, number = {7}, year = {2007}, month = {MAY}, pages = {1467-1473}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The strain of Penicilhuinjanthinellunt NOM 1171 was subjected to mutation involving treatment of Ethyl Methyl Sulfonate (EMS) for 24 h followed by UV-irradiation for 3 min. Successive mutants showed enhanced cellulase production (EMS-UV-8), clearance zone on Avicel containing plate (SM2) and rapid growth on Walseth cellulose agar plates containing 0.2\% 2-deoxy-D-glucose (SM3). These mutants were transferred to Walseth cellulose plates containing higher concentration (1.5\%) of 2-deoxy-D-glucose (SM4) in which only five mutants showed clearance zone on SM4. All these mutants showed approximately two-fold increase in activity of both FPase and CMCase in shake flask culture when grown on basal medium containing CP-123 (1\%) and wheat bran (2.5\%). The enzyme preparations from these mutants were used to hydrolyze Avicel. Higher hydrolysis yields of Avicel were obtained with enzyme preparations of EU1. This is the first report on the isolation and selection of mutants based on hydrolysis of Avicel, which is the most crystalline substrate. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {2-deoxy-D-glucose resistant mutants, cellulase activity, EMS and ultraviolet mutation, Penicillium janthinellum}, issn = {0960-8524}, doi = {10.1016/j.biortech.2006.02.036}, author = {Adsul, Mukund G. and Bastawade, Kulbhushan B. and Varma, Anjanikumar and Gokhale, D. V.} } @article { ISI:000243821700012, title = {Structural evolutions of hydrothermally prepared mesostructured MCM-48 silica using differently manufactured amorphous silica powders}, journal = {Journal of Non-Crystalline Solids}, volume = {353}, number = {2}, year = {2007}, month = {FEB}, pages = {194-199}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The hydrothermal synthesis of Si-MCM-48 mesoporous molecular sieves was carried out using a ternary SiO2:CTAOH:H2O System wherein differently manufactured amorphous silica powders such as fumed silica (FMDS), spray dried precipitated silica (SDPS) and flash dried precipitated silica (FDPS) were used as silica source materials. The changes in structural/textural properties were evaluated using powder XRD, N-2 adsorption-desorption and scanning electron microscopy techniques. Studies on the progressive development of MCM-48 mesophases revealed that, the reactivity of the silica source follow the trend: FMDS \> SDPS \> FDPS. MCM-48 synthesized using low cost FDPS has exhibited thicker pore walls but poorer orderness, while MCM-48 prepared from relatively expensive FMDS has thinner pore walls and more ordered structure. Moreover, the extent of contraction caused by calcinations, agglomerate size and structural stability were found to depend on the reactivity of the silica source used. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {long-range order, micelles, scanning electron microscopy, silica, silicates, sol-gels (xerogels), X-ray diffraction}, issn = {0022-3093}, doi = {10.1016/j.jnoncrysol.2006.10.005}, author = {Taralkar, U. S. and Jha, Ratnesh Kumar and Joshi, P. N.} } @article {42594, title = {Structure control for fine tuning fluorescence emission from side-chain azobenzene polymers}, journal = {Journal of Physical Chemistry B}, volume = {111}, year = {2007}, month = {MAY}, pages = {6364{\textendash}6373}, type = {Article}, abstract = {

New fluorescent azobenzene dyes and side-chain polymers have been synthesized and characterized and their photophysical properties studied. A series of azobenzene dyes having different fluorophores such as phenol (S1), phenylphenol (S2) and naphthol (S3) incorporated in them were synthesized. S2 had unusually high fluorescence with a quantum yield of φf = 0.2 recorded in dichloromethane (DCM), whereas S1 and S3 were found to be weakly fluorescent. The azobenzene dyes were converted into methacrylate monomers having short ethyleneoxy spacers and then free radically polymerized. Phenylphenol-based azobenzene polymer (P2) continued to show fluorescence, whereas fluorescence was completely quenched in the case of phenol (P1)- and naphthol (P3)-based polymers. Phenylphenol, though twisted in the ground state is known to have a more planar geometry in the excited statea factor that enables it to retain its fluorescence behavior even when it is incorporated as part of an azobenzene unit. In contrast, naphthol, which is a better fluorophore compared to phenylphenol, loses much of its emissive behavior upon coupling to the azobenzene unit. The extent of trans to cis photoisomerization in solution was very low (\~{}17\%) for P2 after 30 min of continuous irradiation using 365 nm light, in contrast to \~{} 40\% for P1 under identical conditions. This is attributed to the steric repulsion brought about by the bulky phenylphenol units that restrict rotation. A 2-fold enhancement in fluorescence emission was observed for P2 upon irradiation by UV light at 360 nm, which relaxed to the original intensity in about 7 day{\textquoteright}s time. The higher emission of the cis azobenzenes is generally attributed to an inhibition of photoinduced electron transfer (PET) mechanism. The emission of P2 showed a concentration dependence which increased initially and then decreased in intensity with the formation of a new red-shifted peak at higher concentration due to aggregation. Irradiation of the fluorescence quenched highly concentrated (1 {\texttimes} 10-3 M) sample of P2 showed an enhancement in emission from aggregates at 532 nm.

}, doi = {10.1021/jp071303j}, author = {Smitha, P. and Asha, S. K.} } @article { ISI:000247546800008, title = {Structure-editing of nucleic acids for selective targeting of RNA}, journal = {Current Topics in Medicinal Chemistry}, volume = {7}, number = {7}, year = {2007}, month = {JAN}, pages = {715-726}, publisher = {BENTHAM SCIENCE PUBL LTD}, type = {Article}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

The synthesis of backbone-modified nucleic acids has been an area of very intense research over the last two decades. The main reason for this research activity is the instability of nucleic acid based drugs in the intracellular conditions. Changes in the sugar-phosphate backbone invariably bring about the changes in the complementation properties of the nucleic acids. The naturally occurring deoxyribose- (DNA) and ribose (RNA) sugar-phosphate backbones are endowed with considerable differences in their binding affinities towards themselves. This occurs because of the different sugar conformations prevalent in DNA and RNA and the subtle structural changes accruing from these in hydrogen bonding, base-stacking interactions and hydration of major/minor grooves. The six-atom phosphodiester linkages and pentose-sugars give immense opportunities for chemical modifications that lead to several backbone-modified nucleic acid structures. This article is focused on such modifications that impart RNA-selective binding properties to the modified nucleic acid mimics and the rationale behind the said selectivity. It is found that the six-atom sugar-phosphate backbone could be replaced by either one-atom extended or one-atom edited repeating units, leading to the folded or extended geometries to maintain the internucleoside distance-complementarity. Other important contributions come from electronegativity of the substituent groups, hydration in the major/minor groove, base stacking etc.

}, issn = {1568-0266}, doi = {10.2174/156802607780487722}, author = {Kumar, Vaijayanti A. and Ganesh, Krishna N.} } @article { ISI:000244765100003, title = {Studies on gas sensing performance of pure and modified barium strontium titanate thick film resistors}, journal = {Bulletin of Materials Science}, volume = {30}, number = {1}, year = {2007}, month = {FEB}, pages = {9-17}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Barium strontium titanate ((Ba0.87Sr0.13)TiO3-BST) ceramic powder was prepared by mechanochemical process. The thick films of different thicknesses of BST were prepared by screen-printing technique and gas-sensing performance of these films was tested for various gases. The films showed highest response and selectivity to ammonia gas. The effect of film thickness on gas response was also studied. As prepared BST thick films were surface modified by dipping them into an aqueous solution of titanium chloride (TiCl3) for different intervals of time. Surface modification shifted response to H2S gas suppressing the responses to ammonia and other gases. The surface modification, using dipping process, altered the adsorbate-adsorbent interactions, which gave the unusual sensitivity and selectivity effect. Sensitivity, selectivity, thermal stability, response and recovery time of the sensor were measured and presented.

}, keywords = {(Ba0.87Sr0.13)TiO3 thick films, ammonia gas sensor, II2S gas sensor, selectivity, sensitivity}, issn = {0250-4707}, doi = {10.1007/s12034-007-0003-z}, author = {Jain, G. H. and Patil, L. A. and Patil, P. P. and Mulik, Uttam P. and Patil, K. R.} } @article { ISI:000244145600014, title = {Sugar-linked biodegradable polymers: regio-specific ester bonds of glucose hydroxyls in their reaction with maleic anhydride functionalized polystyrene and elucidation of the polymer structures formed}, journal = {Carbohydrate Polymers}, volume = {67}, number = {4}, year = {2007}, month = {FEB}, pages = {576-585}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

In the development of sugar-linked synthetic polymers as biodegradable polymers, it is imperative to know the variety of polymer structures formed by the reaction of a multi-functional sugar molecule with the functionalized synthetic polymer on which the sugar is to be anchored. Enzymes produced by the microorganisms causing the polymer to biodegrade can be sensitive to the particular type of sugar hydroxyl utilized (such as anomeric, primary, or secondary hydroxyl group) for getting anchored to the polymer. In this paper, we present synthesis of regio-specific ester derivatives of glucose with anhydride, functionalized polymers, i.e., ester formation specifically with the anomeric, primary or secondary hydroxyls of glucose. Characterization of these different esters groups was done using FTIR spectroscopy; each ester peak was further deconvoluted to yield its different components. For this purpose, we studied the reactions of D-glucose, 6-O-trityl glucose, methyl glucoside, 1,2-5,6-diisopropylidene-D-glucose, and 1,2,3,4-tetraacetyl-D-glucose with maleic anhydride functionalized polystyrene (PSMAH). In this study, the primary hydroxyl of glucose was found to be even more reactive than the anomeric hydroxyl. The peaks at similar to 1716, similar to 1725, and 1729-1737 cm(-1) were assigned to the ester carbonyl of the anomeric, primary, and secondary hydroxyls of glucose (C2, C3, and C4), respectively. An attempt was made to quantify the extent to which the different polymer structures are formed in a particular reaction by taking ratios of non-variable reference peaks (polystyrene peak at 1493 cm-1) and variable peaks caused by the reaction (the residual anhydride carbonyl at 1780 cm(-1)). (c) 2007 Published by Elsevier Ltd.

}, keywords = {Biodegradable polymers, functionalized synthetic polymer, glucose, regio-specific, sugar-linked polystyrene}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2006.06.035}, author = {Galgali, P. and Agashe, M. and Varma, Anjanikumar} } @article { ISI:000246066000033, title = {Sulfonamide- and hydrazine-based palladium catalysts: stable and efficient catalysts for C-C coupling reactions in aqueous medium}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {269}, number = {1-2}, year = {2007}, month = {MAY}, pages = {218-224}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Syntheses of a novel family of sulfonamide-based palladium complexes and phenylhydrazine-based palladacycles are described. These catalysts are thermally stable, and not sensitive to air and moisture and some are completely soluble in water. These catalysts have shown excellent activity (good yields and high turnover numbers) and product selectivity in several arylation reactions including Suzuki, Heck, and Sonogashira reactions carried out totally under aqueous conditions. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {arylation reaction, Heck reaction, palladium catalyst, Sonogashira reaction, Suzuki coupling reaction}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.12.023}, author = {Kumar, N. S. C. Ramesh and Raj, I. Victor Paul and Sudalai, A.} } @article { ISI:000249091400025, title = {Sulfonic acid functionalized mesoporous silicas and organosilicas: synthesis, characterization and catalytic applications}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {274}, number = {1-2}, year = {2007}, month = {SEP}, pages = {153-158}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Ethane bridged mesoporous organosilicas and MCM-41 having sulfonic acid groups in the pore channels were prepared by co-condensation method as well as grafting method, using 3-mercaptopropyltriethoxysilane (3-MPTS) as the sulfur precursor. TEM and N-2 sorption isotherm analysis revealed that the mesoporous structural ordering is retained after the functionalization and modifications of organic groups while FT-IR, Raman, XPS and solid-state C-13 CP MAS NMR shows the presence of sulfonic acid groups and the stability of the mesoporous framework. The catalytic activity of the developed materials was evaluated in the liquid phase Claisen-Schmidt condensation reaction of acetophenone with benzaldehyde, to probe the effect of mesoporous support surfaces as well as the role of preparation methods. Results showed that sulfonic acid functionalized ethane-silica samples were more active, selective and stable than the conventional sulfonic acid containing mesoporous catalysts. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {condensation, ethane-silica, heterogeneity, sulfonic acids}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.04.040}, author = {Shylesh, S. and Samuel, Prinson P. and Srilakshmi, Ch. and Parischa, Renu and Singh, A. P.} } @article { ISI:000250026200022, title = {Supported copper oxide as a highly active/selective catalyst for the epoxidation of styrene by TBHP to styrene oxide}, journal = {Catalysis Communications}, volume = {8}, number = {10}, year = {2007}, month = {OCT}, pages = {1556-1560}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Liquid phase epoxidation of styrene by anhydrous and aqueous TBHP to styrene oxide has been studied under reflux, using different supported CuO (viz. Cuo/Si-MCM-41, CuO/Al2O3, CuO/Ga2O3 and CuO/In2O3) as easily separable and reusable heterogeneous catalysts. The CuO/Ga2O3 catalyst showed the best performance in the epoxidation by aqueous TBHP. The CuO supported on In2O3 or Si-MCM-41 also showed very good performance in the epoxidation but only by anhydrous TBHP. However, the CUO/SiO2 catalyst, however, showed very good performance in the epoxidation by both the anhydrous and aqueous TBHP. Influence of the reaction conditions (temperature, time and TBHP/styrene ratio) on the epoxidation by aqueous TBHP over the best catalyst (CuO/Ga2O3) has been investigated. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {CuO/Al2O3, CuO/Ga2O3, CuO/In2O3, Cuo/Si-MCM-41, CuO/SiO2, epoxidation, styrene, Styrene oxide, tertiary butyl hydroperoxide}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.01.005}, author = {Choudhary, Vasant R. and Jha, Rani and Chaudhari, Nitin K. and Jana, Prabhas} } @article { ISI:000249948100006, title = {Supramolecular architecture in some 4-halophenylboronic acids}, journal = {Crystal Growth \& Design}, volume = {7}, number = {10}, year = {2007}, month = {OCT}, pages = {1958-1963}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Crystal structures of 4-chloro- and 4-bromophenylboronic acids (1 and 2) and hydrates of 2 and 4-iodophenylboronic acid in two different forms (2a, 3a, and 3b), which were characterized by single-crystal X-ray diffraction methods, are reported. In structures I and 2, -B(OH)2 forms a syn-anti conformation, but it exists in syn-syn as well as anti-anti conformations in the hydrated structures 2a, 3a, and 3b. In all the structures, the molecules are held together by O-H center dot center dot center dot O interactions formed by -B(OH)2 groups. The C-H center dot center dot center dot X (X = Cl, Br, and I) interactions play an important role in crystal packing. In 2, Br center dot center dot center dot Br interactions are also observed. Interestingly, all the three hydrates form similar types of three-dimensional structures with the formation of channels, which are occupied by water molecules. The two hydrates of 4-iodophenylboronic acid (3a and 3b) are distinguishable on the basis of O center dot center dot center dot O short contacts, with an identical host lattice of the boronic acid.

}, issn = {1528-7483}, doi = {10.1021/cg060863p}, author = {Shimpi, Manishkumar R. and SeethaLekshmi, Nanappan and Pedireddi, Venkateswara Rao} } @article { ISI:000249169900033, title = {Surface-state-mediated electron transfer at nanostructured ZnO multipod/electrolyte interfaces}, journal = {Journal of Physical Chemistry C}, volume = {111}, number = {35}, year = {2007}, month = {SEP}, pages = {13092-13102}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Redox kinetics of cyanoferrate(III) species adsorbed at an n-type ZnO multipod/electrolyte interface is explored using electrochemical techniques like cyclic voltammetry and impedance spectroscopy. The electrochemical impedance results are analyzed using a fluctuating energy level model, assuming isoenergetic tunneling of majority carriers through the Helmholtz layer. A shift in the slope of Mott-Schottky plots (C-sc(-2) versus E) together with evidence from cyclic voltammetry shows that the electron-transfer process is mediated by surface states formed because of the adsorption of ferricyanide ions (as evident from the results of Fourier transform infrared spectroscopy). More significantly, the pH of zero charge (point of zero zeta potential, pzzp) of ZnO multipods is found to be 4.5 (from capacitance vs pH plots) compared to that of bulk ZnO (pH 9.5), which could be explained on the basis of a lowering in the work function of the nanostructured semiconductor and its consequent susceptibility to the formation of surface states. This is in excellent agreement with our earlier observation of ultralow threshold field emission with this material in the light of the linear dependence of pzzp with work function of the electrode material. The flat-band potential of the nanostructures is found to be 200 mV more negative than that reported for bulk n-type ZnO electrodes, indicating a higher doping density in the former. A three-dimensional mapping of charge distribution in the surface states is attempted by correlating the capacitance response of the system subjected to a sinusoidal potential modulation to the semiconductor electrode with that resulting from a systematic variation of the redox potential of the dissolved acceptor (achieved by varying the pH of the electrolyte) which further reveals the polyenergetic nature of the surface states.

}, issn = {1932-7447}, doi = {10.1021/jp072695x}, author = {Parthasarathy, Meera and Ramgir, Niranjan S. and Sathe, Bhaskar R. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article { ISI:000243765100017, title = {Swelling and mechanical behavior of modified poly(vinyl alcohol)/laponite nanocomposite membranes}, journal = {Journal of Applied Polymer Science}, volume = {103}, number = {5}, year = {2007}, month = {MAR}, pages = {2896-2903}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Nanocomposite (NC) membranes based on hydrophobically modified PVA and laponite were synthesized with varying laponite content in the feed. The incorporation of laponite in NC membranes was investigated by FTIR spectroscopy and thermogravimetric analysis. The swelling ratio of membranes was determined as a function of temperature and laponite content. Swelling studies of NC membranes exhibited the decrease in swelling with an increase in laponite content in the NC membranes. The swelling ratio of NC membrane with 20\% laponite slightly increased with an increase in temperature. Dynamic mechanical analysis showed the systematic increase in storage modulus with laponite content, which indicates the enhancement of mechanical property upon laponite addition. There was also a decrease in the tan 6 peak values of NC membranes with an increase in laponite content in NCs. The permeabilities through NC membranes as a function of solute size and laponite content were studied and the results showed molecular screening based on size. The permeability of solute reduced due to the presence of well-dispersed laponite in the NC. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {Dynamic mechanical analysis, laponite, membranes, nanocomposite hydrogel, poly(vinyl alcohol)}, issn = {0021-8995}, doi = {10.1002/app.25469}, author = {Nair, Shubhangi H. and Pawar, Kiran C. and Jog, Jyoti Prakash and Badiger, Manohar V.} } @article { ISI:000245148800020, title = {Synergetic effect of two halogen promoters present in acidic reaction medium or catalyst on the H2O2 formation (in H-2-to-H2O2 oxidation) and destruction over Pd/C (or Al2O3) catalyst}, journal = {Journal of Catalysis}, volume = {246}, number = {2}, year = {2007}, month = {MAR}, pages = {434-439}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

A strong synergetic effect of two different halide anions (F- and I-, Cl- and I-, Cl- and Br-, and F- and Br-) at optimum concentration in the catalyst or in an acidic reaction medium was observed in the H-2-to-H2O2 oxidation over Pd/C, Pd/Al2O3, and halogenated Pd/Al2O3 catalysts. The synergetic effect promote, the net H2O2 formation by inhibiting the H2O2 decomposition and hydrogenation reactions. The effect is most pronounced for the combination of fluoride (or chloride) and iodide anions. The Br (1 wt\%)-F (1 wt\%)-Pd (5 wt\%)/Al2O3 catalyst showed very high H2O2 yield (59\%)/selectivity (60\%) in the H-2-to-H2O2 oxidation. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {H-2-to-H2O2 oxidation, H2O2 decomposition H2O2 hydrogenation, halogen promoter, Hydrogen peroxide, Pd/Al2O3, Pd/C, synergetic effect}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.12.012}, author = {Choudhary, Vasant R. and Jana, Prabhas} } @article { ISI:000250387000005, title = {Synergistic effect of CPPU and benzyladenine on embryo rescue in six. stenospermocarpic cultivars of grapevine}, journal = {Vitis}, volume = {46}, number = {4}, year = {2007}, month = {JAN}, pages = {188-191}, publisher = {BUNDESANSTALT ZUCHTUNGS FORSCHUNG KULTURPFLANZEN}, type = {Article}, address = {INST REBENZUCHTUNG GEILWEILERHOF, D-76833 SIEBELDINGEN, GERMANY}, abstract = {

In ovulo/embryo culture technique has been used to recover hybrids from seedless grapevines. The present investigation was carried out to study the influence of pre-bloom sprays of N-(2-chloro-4-pyridyl)-N{\textquoteright}-phenylurea (CPPU) - a synthetic cytokinin, and N-6-benzyladenine (BA) supplemented in culture media on embryo recovery in six stenospermocarpic grapevine cultivars. The results showed synergistic effect of CPPU and BA on embryo recovery. Though a CPPU spray alone increased embryo recovery in four out of six cultivars tested, the efficiency was enhanced several fold on culture of excised ovules on media supplemented with BA. The percentage of embryo recovery also depended on BA concentration and varied among six cultivars indicating a genotypic influence as well. Germination percentage of rescued embryos varied among the six cultivars and mostly corresponded with embryo recovery. Germinated embryos developed into normal plantlets. Present study demonstrates that spraying of panicles with CPPU and incorporation of BA in the ovule culture medium can enhance the embryo recovery in stenospermocarpic cultivars of grapevine.

}, keywords = {benzyladenine, CPPU, embryo rescue, seedless grapes}, issn = {0042-7500}, author = {Nookaraju, A. and Barreto, M. S. and Karibasappa, G. S. and Agrawal, Dinesh C.} } @article { ISI:000243798400010, title = {Synergistic role of acid sites in the Ce-enhanced activity of mesoporous Ce-Al-MCM-41 catalysts in alkylation reactions: FTIR and TPD-ammonia studies}, journal = {Journal of Catalysis}, volume = {245}, number = {2}, year = {2007}, month = {JAN}, pages = {338-347}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The acidic properties of Ce-x-Al-y-MCM-41 with different Ce/Al/Si atomic ratios were examined by pyridine-FTIR and ammonia-TPD methods. Both the density and the strength of the acid sites were considerably higher in the samples containing both Ce and Al than in the samples with only one of these substituents. The IR spectra of chemisorbed pyridine revealed that the Ce-Al-MCM-41 samples contained at least two distinct Lewis acid sites, L-2 (1595-1444 cm(-1)) and L-1 (1613-1452 cm(-1)), where the L-2/L-1 ratio increased progressively with increasing Ce/Al atomic ratio in a series of samples with similar Si/Al ratios. In addition, the density of the Bronsted acid sites (B) as well as the B/L-1 ratio increased with increasing Ce/Al molar ratio in these samples. The findings of this study help us understand the synergistic role played by Lewis and Bronsted acid sites in the catalytic activity of these catalysts for the benzylation of toluene. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {ammonia-TPD, benzylation reaction, Ce-Al-MCM-41, Friedel-Crafts alkylation, pyridine-FrIR}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.10.022}, author = {Kalita, Pranjal and Gupta, Narendra M. and Kumar, Rajiv} } @article { ISI:000253154500023, title = {Syntheis of unusual tricyclic ring systems of biological interest}, journal = {Heterocycles}, volume = {73}, number = {1}, year = {2007}, month = {DEC}, pages = {269+}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We describe a new synthesis of tricyclic scaffolds that incorporate a fusion of triazole with 1,4-benzodiazepine utilizing intramolecular {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry.

}, keywords = {1, 2, 3-Triazole, 4-benzodiazepine, Click chemistry, nitrogen rich polycyclic hetero-system, privileged structure}, issn = {0385-5414}, author = {Mohapatra, Debendra K. and Maity, Pradip K. and Chorghade, Mukund S. and Gurjar, Mukund K.} } @article { ISI:000245341700009, title = {Syntheses of 1,2-amino alcohols and their applications for oxazaborolidine catalyzed enantioselective reduction of aromatic ketones}, journal = {Australian Journal of Chemistry}, volume = {60}, number = {3}, year = {2007}, month = {APR}, pages = {196-204}, publisher = {CSIRO PUBLISHING}, type = {Article}, address = {150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA}, abstract = {

Six new chiral 1,2-amino alcohol derivatives have been synthesized starting from (1R, 2R)-2-amino-1-phenylpropane-1,3- diol. Asymmetric reduction of aryl ketones with in-situ generated oxazaborolidine from these amino alcohol derivatives and BH3 center dot Me2S afforded secondary alcohols with good yield and moderate to high enantiomeric excess.

}, issn = {0004-9425}, doi = {10.1071/CH06412}, author = {Vatmurge, Namdev S. and Hazra, Braja G. and Pore, Vandana S.} } @article {Bhattacharya, title = {Synthesis and characterisation of polymer-anchored oxidovanadium(IV) complexes and their use for the oxidation of styrene and cumene}, journal = {European Journal of Inorganic Chemistry}, number = {16}, year = {2007}, month = {JUN}, pages = {2303-2314}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

{The Schiff bases H(2)fsal-ea (I), H(2)fsal-pa (II) and H(2)fsal-amp (III), derived from 3-formylsalicylic acid and 2-aminoethanol, 3-aminopropanol and 2-amino-2-methylpropanol, respectively, have been connected, by means of covalent bonds, to chloromethylated polystyrene cross-linked with 5\% divinylbenzene. On treatment with [

}, keywords = {dissolution rate, mass transfer coefficient, particle size distribution, polydisperse solid, reactive liquid}, issn = {0930-7575}, author = {Maurya, Mannar R. and Kumar, Umesh and Manikandan, Palanichamy} } @article { ISI:000245141300028, title = {Synthesis and characterization of hindered amine light stabilizers based on end functionalization of polypropylene}, journal = {Journal of Applied Polymer Science}, volume = {104}, number = {3}, year = {2007}, month = {MAY}, pages = {1596-1602}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A polymeric hindered amine light stabilizer (HALS), where HALS moiety was attached at the terminal end of the polypropylene chain via end-functionalized vinylidine PP through simple organic reactions, was synthesized. It comprises the synthesis of vinylidine-terminated polypropylene by using Cp2ZrCl2/MAO as catalyst system and epoxidation of vinylidene polypropylene. The final product was synthesized by carrying out the reaction between epoxy end functionalized polypropylene and 4-amino-2,2,6,6-tetrametyl piperidine. The final product was characterized by using H-1 NMR, C-13 NMR, and FT-IR spectra. Functionality was calculated by using vapor phase osmometry and H-1 NMR. The solubility and diffusion coefficient of the product were calculated and also its stabilization performance was checked. (c) 2007 Wiley Periodicals, Inc.

}, keywords = {end functionalization, functionalization of polymers, polymeric HALS, polypropylene, vinylidine and photostabilization}, issn = {0021-8995}, doi = {10.1002/app.25745}, author = {Reddy, K. Raghunatha and Kumar, Bijendra and Rana, Sravendra and Tevtia, Amit K. and Singh, R. P.} } @article { ISI:000243695000025, title = {Synthesis and characterization of mesoporous carbon through inexpensive mesoporous silica as template}, journal = {Microporous and Mesoporous Materials}, volume = {98}, number = {1-3}, year = {2007}, month = {JAN}, pages = {189-199}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Mesoporous silica materials have been synthesized through sol-gel reaction using inexpensive sodium silicate as source of silica and low cost hydroxy carboxylic acid compounds as templates/pore forming agents. The material measured surface area of 1014 m(2)/g, pore diameter of 65 angstrom and pore volume of 1.4 cc/g when parameters like time and temperature of synthesis along with mole ratio of TA/SiO(2) were optimized. Here TA stands for tartaric acid. Carbonization of sucrose inside the pores of above silica material at 900 degrees C followed by removal of silica framework using aqueous ethanoic solution of NaOH gave rise to mesoporous carbon material. The resulting materials were characterized by N(2)-sorption, FTIR spectroscopy, X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, thermal analysis and cyclic voltammetry. Three dimensional interconnecting wormhole channel arrangement of mesoporous silica template leads to mesoporous carbon replica with surface area of 1200 m(2)/g. X-ray photoelectron spectroscopic study (XPS) of the mesoporous carbon material shows the concentration of carbon atom in the range of 97-98\% with 1-2\% oxygen and negligible amount of silica. The electrochemical double layer capacitance behavior of carbon material with the specific capacitance value of 88.0 F/g at the scan rate of 1 mV/s appears to be promising. (C) 2006 Elsevier Inc. All rights reserved.

}, keywords = {Electrochemical properties, hydroxy carboxylic acid, mesoporous carbon, Mesoporous silica, sodium silicate}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.09.003}, author = {Karandikar, Prashant R. and Patil, K. R. and Mitra, A. and Kakade, Bhalchandra A. and Chandwadkar, Asha J.} } @article { ISI:000250399300012, title = {Synthesis and characterization of NCL-5, NCL-6 and NCL-7: new zeolites enriched with polymorph B of the BEA family}, journal = {Microporous and Mesoporous Materials}, volume = {105}, number = {1-2}, year = {2007}, month = {SEP}, pages = {82-88}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The synthesis of all-silica analogs of polymorph B-enriched zeolites of the BEA family denoted as NCL-5, NCL-6 and NCL-7 was realized hydrothermally at lower water content in fluoride medium using perchloric acid as promoter and terraethylammonium hydroxide as template. The present article explains the effect of different synthesis parameters on NCL-5, NCL-6 and NCL-7. The samples were characterized using XRD, low temperature N-2-adsorption, Si-29 MAS NMR and FTIR spectroscopy. The phase composition of the structures was derived using simulated patterns for the random intergrowths of polymorphs A and B using DIFFaX Code. The stacking direction c{\textquoteright} is perpendicular to the a{\textquoteright}b{\textquoteright} plane of the layer. The phase composition of polymorph B derived using DIFFaX code was found to be 90-95\%. 70-75\% and 60-65\% in NCL-5, NCL-6 and NCL-7, respectively. The gradual decrease of polymorph B concentration in these samples showed a correlation with the decrease in water/SiO2 molar ratio in gel. The framework FTIR spectral analysis of NCL-5 and all-silica-beta supported the postulation that significant enrichment of polymorph B in NCL-5 compared to that in all-silica-beta, as indicated by the relative intensities of pair of bands at 1097 and 1018 cm(-1) and 460 and 423 cm(-1) vibrations, leads to more tortuous channel structure associated with polymorph B. (C) 2007 Elsevier Inc. All riahts reserved.

}, keywords = {BEA family, NCL-5, NCL-6, NCL-7, polymorph B enrichment, synthesis, zeolites}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.05.063}, author = {Kadgaonkar, Mahesh D. and Kasture, Mahesh W. and Bhange, Deu S. and Joshi, Praphulla N. and Ramaswamy, Veda and Gupta, Narendra M. and Kumar, Rajiv} } @article { ISI:000250410500033, title = {Synthesis and characterization of new aromatic polyesters containing biphenyl side groups}, journal = {Journal of Applied Polymer Science}, volume = {106}, number = {5}, year = {2007}, month = {DEC}, pages = {3105-3110}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Aromatic polyesters containing biphenyl side groups were synthesized by phase-transfer catalyzed interfacial polycondensation of 1-(4-biphenylyl)-1,1-bis(4-hydroxyphenyl) ethane (BBHPE) with terephthaloyl chloride (TPC), isophthaloyl chloride (IPC), and a mixture of TPC/IPC (50: 50 mol ratio). Copolyesters were synthesized by utilizing different molar proportions of BBHPE and 4,4-isopropylidenediphenol (BPA) with IPC and TPC. The inherent viscosities of polyesters were in the range 0.44-1.26 dL/g. All the polyesters were soluble in organic solvents such as dichloromethane, chloroform, tetrahydrofuran, meta-cresol, pyridine, N,N-dimethylformamide, N,N-dimethylacetamide, and 1-methyl-2-pyrrolidmone. Tough, transparent, and flexible films could be cast from chloroform solutions of these polyesters. WAXD measurements indicated that all the polyesters and copolyesters were amorphous in nature. Glass transition temperature of polyesters were in the range 198-256 degrees C, while the initial degradation temperature of polyesters were in the range 444-481 degrees C. Copolyesters derived from BBHPE exhibited improved solubility and higher glass transition temperatures compared to the corresponding polyesters based on BPA. (c) 2007 Wiley Periodicals, Inc.

}, keywords = {Aromatic polyesters, biphenyl side groups}, issn = {0021-8995}, doi = {10.1002/app.25862}, author = {Honkhambe, Pandurang N. and Avadhani, C. V. and Wadgaonkar, Prakash P. and Salunkhe, Manikrao M.} } @article { ISI:000247807900003, title = {Synthesis and characterization of novel polyurethanes based on 4,4 {\textquoteleft}-[1,4-phenylenedi-diazene-2,1-dlyl] bis(2-carboxyphenol) and 4,4 {\textquoteleft}-[1,4-phenylenedi-diazene-2,1-diyl] bis(2-chlorophenol) hard segments}, journal = {Reactive \& Functional Polymers}, volume = {67}, number = {6}, year = {2007}, month = {JUN}, pages = {503-514}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Eight novel polyurethanes (PUs) based on 4,4{\textquoteright}-[1,4-phenylenedi-diazene-2,1-diyl]bis(2-carboxyphenot) and 4,4{\textquoteright}-[1,4phenylenedi-diazene-2,1-diyl]bis(2-chloro- phenol) as hard segments with four diisocyanates viz., 4,4-diphenyl-methane diisocyanate, toluene 2,4-diisocyanate, isophorone diisocyanate and hexamethylene diisocyanate were prepared. Structural and thermal characterization of the segmented PUs were determined by FT-IR, UV spectrophotometry, fluoroscence spectroscopy, H-1 NMR, C-13 NMR spectroscopy and DTA/TGA analysis. All the PUs contain domains of semi-crystalline and amorphous structures, as indicated by X-ray diffraction. PUs were soluble in polar aprotic solvents like N-methyl-2-pyrrolidone (NMP), dimethyl formamide (DMF) and dimethylsulfoxide (DIVISO). (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {azo polymers, fluorescence, hard segments, Morphology, phase separation, polyurethanes, spectroscopy, Thermal properties}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2007.02.003}, author = {Raghu, A. V. and Gadaginamath, G. S. and Mathew, Nevin T. and Halligudi, Shivaraj B. and Aminabhavi, Tejraj M.} } @article { ISI:000243242700003, title = {Synthesis and characterization of poly(higher-alpha-olefin)s with a nickel(alpha-diimine)/methylaluminoxane catalyst system: effect of chain running on the polymer properties}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {45}, number = {2}, year = {2007}, month = {JAN}, pages = {191-210}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Homopolymerization of octadecene-1 at different reaction conditions has been studied. Significant chain running can be seen at higher polymerization temperatures. Interestingly, insertion of octadecene-1 into a sterically hindered nickel-cation/carbon (secondary) bond is observed. The microstructure of the polymer was established using NMR spectroscopy. The effects of chain running on polymer melting, crystallization behavior, and dynamic mechanical thermal properties were studied using DSC and DMTA. The extent of chain running (i.e., 2 omega-, 1,omega-enchainments) decreases with an increase in the carbon number of alpha-olefins. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {chain running, Crystallization, glass transition, melt transition, nickel (alpha-diimine), NMR, poly(alpha-olefin)s}, issn = {0887-624X}, doi = {10.1002/pola.21783}, author = {Subramanyam, Ummadisetty and Sivaram, Swaminathan} } @proceedings { ISI:000291657600051, title = {Synthesis and characterization of value added catalysts zeolite beta using environmentally detrimental flyash}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {438-443}, publisher = {Elsevier Science BV}, address = {Beijing, Peoples R China}, abstract = {

Fly ash is a major byproduct of Thermal power plant, which makes a lot of pollution to the environment due to its fineness. When a large amount of fly ash is dumped in the places near to power plants, it mixes in all segment of environment like water, air as well as soil. Though it can be utilized for different useful purposes, due to the lack of technical knowledge about how and proper motivation, no progress has been made in its utilization. It has been demonstrated that the fly ash can be used for making a value added catalyst zeolite beta by using simple and low cost process. In the present paper it is demonstrated that the fly ash can be used as a source of silica and alumina in the synthesis of value added catalyst zeolite beta. Moreover, the influence of different silica sources such as tetraethylortho silicate, silica sol and fumed silica on the physiochemical characteristics of well crystallized zeolite beta was also studied. The detailed characterization was carried out by using powder XRD, (27)Al and (29)Si MAS NMR, chemical analysis and low temperature nitrogen adsorption. Based on the data obtained from various systems containing different silica source, fumed silica is found to be most efficient source materials and showed superiority in the uniformity of aluminum distribution and possesses higher surface area.

}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Kasture, M. W. and Bokade, Vijay V. and Joshi, P. N. and Kumar, R.}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article { ISI:000248203200019, title = {Synthesis and evaluation of 1-deoxy-8-epi-castanospermine, 1-deoxy-8-hydroxymethyl castanospermine, and (6S,7S,8R,8aR)-8-amino-octahydroindolizine-6,7-diol}, journal = {Tetrahedron}, volume = {63}, number = {22}, year = {2007}, month = {MAY}, pages = {4756-4761}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short, versatile, and enantioselective synthesis of 1-deoxy-8-epi-castanospermine (5), 1-deoxy-8-hydroxymethyl castanospermine (6), and (6S,7S,8R,8aR)-8-amino-octahydroindolizine-6,7-diol (7) is achieved from a common template 12. The key step utilized is PET provoked amine radical cyclization of 11 to 12 in excellent diastereoselectivity. The exocyclic double bond at C-8 of the template is functionalized to obtain 5-7 as exclusive diastereomers. 1-Deoxy-8-epi-castanospermine exhibited inhibition of alpha- and beta-galactosidase and beta-glucosidase. Compounds 6 and 7 were found to be weak inhibitors of beta-glucosidase. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {1-deoxy-8-epi-castanospermine, castanospermine, Glycosidase inhibitors}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.03.085}, author = {Pandey, Ganesh and Dumbre, Shrinivas G. and Pal, Sujit and Khan, Mohammad Islam and Shabab, A.} } @article { ISI:000245634500005, title = {Synthesis and evaluation of 4/5-hydroxy-2,3-diaryl(substituted)-cyclopent-2-en-1-ones as cis-restricted analogues of combretastatin A-4 as novel anticancer agents}, journal = {Journal of Medicinal Chemistry}, volume = {50}, number = {8}, year = {2007}, month = {APR}, pages = {1744-1753}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new series of 2,3-diaryl-4/5-hydroxy-cyclopent-2-en-1-one analogues replacing the cis double bond of combretastatin A-4 (CA-4) by 4/5-hydroxy cyclopentenone moieties was designed and synthesized. The analogues displayed potent cytotoxic activity (IC50 \< 1 mu g/mL) against a panel of human cancer cell lines and endothelial cells. The most potent analogues 11 and 42 belonging to the 5-hydroxy cyclopentenone class were further evaluated for their mechanism of action. Both of the analogues led to cell cycle arrest at G2/M phase and induced apoptosis in endothelial cells. Antitubulin property of 42 was superior to 11 and comparable to CA-4. The compound 42 had better aqueous solubility, metabolic stability, and pharmacokinetic profile than CA-4 and also demonstrated significant tumor regression in the human colon xenograft model. Our data suggests that cis-restricted analogues of CA-4 are a new class of molecules that have the potential to be developed as novel agents for the treatment of cancer.

}, issn = {0022-2623}, doi = {10.1021/jm060938o}, author = {Gurjar, Mukund K. and Wakharkar, Radhika D. and Singh, Anu T. and Jaggi, Manu and Borate, Hanumant B. and Shinde, Popat D. and Verma, Ritu and Rajendran, Praveen and Dutt, Sarjana and Singh, Gurvinder and Sanna, Vinod K. and Singh, Manoj K. and Srivastava, Sanjay K. and Mahajan, Vishal A. and Jadhav, Vinod H. and Dutta, Kakali and Krishnan, Karthik and Chaudhary, Anika and Agarwal, Shiv K. and Mukherjee, Rama and Burman, Anand C.} } @article { ISI:000250179600010, title = {Synthesis and evaluation of antifungal properties of a series of the novel 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and its analogues}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {15}, number = {21}, year = {2007}, month = {NOV}, pages = {6705-6715}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and various analogues have been synthesized in excellent isolated yields starting from various arylidenemalononitrile and 3-amino-2-cyclohexen-1-one in 1-propanol as solvent at reflux temperature in the absence of any added catalyst. All the synthesized compounds were evaluated for their antifungal activity. The relationship between functional group variation and biological activity of the evaluated compounds is discussed in the article. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Antifungal activity, antiproliferative activity, arylidenemalononitriles, arylquinoline carbonitrile, Michael addition}, issn = {0968-0896}, doi = {10.1016/j.bmc.2007.08.009}, author = {Gholap, Atul R. and Toti, Kiran S. and Shirazi, Fazal and Kumari, Ratna and Bhat, Manoj Kumar and Deshpande, Mukund V. and Srinivasan, Kumar V.} } @article { ISI:000250367600011, title = {Synthesis and glycosidase inhibitory studies of pentahydroxyindolizidines: D-Glucose-Derived aziridine-2-carboxylate approach}, journal = {European Journal of Organic Chemistry}, number = {29}, year = {2007}, month = {OCT}, pages = {4895-4901}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

D-Glucose -derived aziridine-2-carboxylate I was converted into a-amino aldehyde 7, which, after Wittig olefination, asymmetric dihydroxylation, hydrogenation followed by LiAlH4 reduction, and N-Cbz protection, afforded two diastereomeric pyrrolidines 11a and 11b with sugar appendages. Removal of the 1,2-acetonide functionality in 11a/11b and reductive animation gave the pentahydroxyindolizidine alkaloids 6g and 6h, respectively, with (S) absolute configurations at the ring junctions. The glycosidase inhibitory activities of these compounds were studied.

}, keywords = {asymmetric dihydroxylation (AD), Iminosugars, indolizidine, N-methylmorpholine, N-oxide (NNIO)}, issn = {1434-193X}, doi = {10.1002/ejoc.200700461}, author = {Kumar, K. S. Ajish and Chaudhari, Vinod D. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000246321200039, title = {Synthesis and LPG sensing properties of nano-sized cadmium oxide}, journal = {Talanta}, volume = {72}, number = {2}, year = {2007}, month = {APR}, pages = {594-599}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This paper reports the synthesis and liquid petroleum gas (LPG) sensing properties of nano-sized cadmium oxide (CdO). The nano-sized CdO powder was successfully synthesized by using a chemical co-precipitation method using cadmium acetate and the ammonium hydroxide, as starting materials and water as a carrier. The resulting nano-sized powder was characterized by X-ray diffraction (XRD) measurements and the transmission electron microscopy (TEM). The LPG sensing properties of the synthesized nano-sized CdO were investigated at different operating temperatures and LPG concentrations. It was found that the calcination temperature and the operating temperature significantly affect the sensitivity of the nano-sized CdO powder to the LPG. The sensitivity is found to be maximum when the calcination temperature was 400 degrees C. The sensitivity to 75 ppm of LPG is maximum at an operating temperature 450 degrees C and it was found to be similar to 34 1 \%. The response and recovery times were found to be nearly 3-5s and 8-10s, respectively. The synthesized nano-sized CdO powder is able to detect up to 25 ppm for LPG with reasonable sensitivity at an operating temperature 450 degrees C and it can be reliably used to monitor the concentration of LPG over the range (25-75 ppm). The experimental results of the LPG sensing studies reveal that the nano-sized CdO powder synthesized by a simple co-precipitation method is a suitable material for the fabrication of the LPG sensor. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {chemical co-precipitation, Gas sensor, LPG, nano-sized CdO}, issn = {0039-9140}, doi = {10.1016/j.talanta.2006.11.024}, author = {Waghulade, R. B. and Patil, P. P. and Pasricha, Renu} } @article { ISI:000246042800003, title = {Synthesis and magnetic properties of Mn doped ZnO nanowires}, journal = {Solid State Communications}, volume = {142}, number = {4}, year = {2007}, month = {APR}, pages = {190-194}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Mn doped ZnO nanowires have been synthesized using a simple autocombustion method. The as-synthesized Mn doped ZnO nanowires were characterized by X-ray diffraction and transmission electron microscopy. An increase in the hexagonal lattice parameters of ZnO is observed on increasing the Mn concentration. Optical absorption studies show an increment in the band gap with increasing Mn content, and also give evidence for the presence of Mn2+ ions in tetrahedral sites. All Zn1-xMnxO (0 \<= x \<= 0.25) samples are paramagnetic at room temperature. However, a large increase in the magnetization is observed below 50 K. This behavior, along with the negative value of the Weiss constant obtained from the linear fit to the susceptibility data below room temperature, indicate ferrimagnetic behavior. The origin of ferrimagnetism is likely to be either the intrinsic characteristics of the Mn doped samples, or due to some spinel-type impurity phases present in the samples that could not be detected. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Combustion synthesis, diluted magnetic semiconductor, magnetic properties, Mn doped ZnO}, issn = {0038-1098}, doi = {10.1016/j.ssc.2007.02.017}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000242775700046, title = {Synthesis and MASNMR characterization of VPI-5 molecular sieve}, journal = {Asian Journal of Chemsitry}, volume = {19}, number = {1}, year = {2007}, month = {FEB}, pages = {347-353}, publisher = {ASIAN JOURNAL OF CHEMISTRY}, type = {Article}, address = {11/100 RAJENDRA NAGAR, SECTOR 3,, SAHIBABAD 201 005, GHAZIABAD, INDIA}, abstract = {

The synthesized VPI-5 sample was characterized by XRD, SEM, FTIR, TG/DTA, Al-27, P-31 and 3Q MASNMR techniques, which shows that the sample was highly crystalline. Carbon and nitrogen analysis reveals that the sample contains no template molecules; however, TG/DTA analysis shows the presence of physisorbed template molecules. MASNMR results show the presence of two different types of aluminium and phosphorus, 3Q MASNMR shows the presence of two types of environmentally different tetrahedral aluminium, which are not observable by ordinary MASNMR along with known octahedral aluminium.

}, keywords = {3Q-MASNMR, FTIR, MASNMR, SEM, synthesis, TG/DTA, VPI-5, XRD}, issn = {0970-7077}, author = {Venkatathri, N.} } @article { ISI:000248609900039, title = {Synthesis, characterization, and acoustic properties of new soluble polyurethanes based on 2,2 {\textquoteleft}-[1,4-phenylenebis(nitrilomethylylidene)diphenol and 2,2 {\textquoteleft}-[4,4 {\textquoteleft}-methylene-di-2-methylphenylene-1,1 {\textquoteleft}-bis(nitrilomethylylidene)]diphenol}, journal = {Journal of Applied Polymer Science}, volume = {106}, number = {1}, year = {2007}, month = {OCT}, pages = {299-308}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Eight novel polyurethanes based on 2,2{\textquoteright}-[1,4-phenylenebis(nitrilomethylylidene)]diphenol and 2,2-[4,4{\textquoteright}methylene-di-2-methylphenylene-1,1{\textquoteright}-bis(nitrilomethylylidene) ]diphenol acting as hard segments with two aromatic and two aliphatic diisocyanates (4,4{\textquoteright}-diphenytmethane diisocyanate, toluene 2,4-diisocyanate, isophorone diisocyanate, and hexamethylene diisocyanate) were prepared and characterized with Fourier transform infrared, UV spectrophotometry, fluorescence spectroscopy, H-1-NMR and C-13-NMR spectroscopy, thermogravimetric analysis, and differential thermal analysis. All the polyurethanes contained domains of semicrystalline and amorphous structures, as indicated by X-ray diffraction. The acoustic properties and solubility parameters were calculated with the group contribution method. (c) 2007 Wiley Periodicals, Inc.

}, keywords = {infrared spectroscopy, NMR, phase behavior, polyurethanes, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.26547}, author = {Raghu, A. V. and Gadaginamath, G. S. and Mathew, Nevin T. and Halligudi, Shivaraj B. and Aminabhavi, Tejraj M.} } @article { ISI:000251014600008, title = {Synthesis, characterization and actuation behavior of polyaniline-coated electroactive paper actuators}, journal = {Polymer International}, volume = {56}, number = {12}, year = {2007}, month = {DEC}, pages = {1530-1536}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

This investigation deals with the synthesis, characterization and actuation behavior of conductive polyaniline-coated electroactive paper actuators. The actuator is made by electrochemical deposition of conductive polyaniline on a cellulose paper. The aim of the investigation was to improve the bending displacement of electroactive paper actuators. The displacement outputs of the actuators show that a trilayer is better than a bilayer configuration. The nature of the dopant ion used in the electro-generation affects the performance. A change in humidity plays a vital role in actuation performance of the actuators. Comparing the performance of electroactive paper actuators with and without a conductive polyaniline coating, the coating improves the displacement output threefold. Finally, the actuation principle mechanism is addressed. (C) 2007 Society of Chemical Industry.

}, keywords = {bending actuator, conducting polymer, electroactive polymer (EAP), polyaniline}, issn = {0959-8103}, doi = {10.1002/pi.2297}, author = {Kim, Jaehwan and Yun, Sung-Ryul and Deshpande, S. D.} } @article { ISI:000246023000002, title = {Synthesis, characterization, and performance evaluation of polymeric hindered amine light stabilizers (HALS) in EPDM}, journal = {E-Polymers}, year = {2007}, month = {APR}, pages = {Article No. 038}, publisher = {EUROPEAN POLYMER FEDERATION}, type = {Article}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {

Polymeric hindered amine light stabilizer (HALS), wherein the hindered amine functionality was attached to the brominated ethylene-propylene-diene terpolymer (EPDM) was synthesized. The brominated EPDM was synthesized as an intermediate for the synthesis of a new polymeric hindered amine light stabilizer. The grafting and functionalization reactions were characterized by FTIR and (HNMR)-H-1 spectroscopy. The photostabilizing efficiency of this polymeric HALS was studied and compared with conventional HALS under accelerated weathering conditions. The results of the study give evidence for superiority of polymeric HALS over that of melt blended conventional HALS.

}, keywords = {EPDM, Photostabilization, polymeric HALS}, issn = {1618-7229}, author = {Rana, Sravendra and Singh, Raj Pal} } @article { ISI:000251574200016, title = {Synthesis, NMR, X-ray crystallography and bioactivity of some alpha-aminophosphonates}, journal = {Arkivoc}, number = {13}, year = {2007}, month = {JAN}, pages = {133-141}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

The synthesis of some new alpha-aminophosphonates (4a-l) was accomplished by one pot reaction of equimolar quantities of 2-amino-4-chlorophenol (1), various aromatic aldehydes (2a-l) and diethylphosphite (3) in dry toluene at reflux temperature. Products 4a-l were characterized by IR, H-1, C-13, P-31 NMR and in the case of 4g by X-ray crystal diffraction data.

}, keywords = {alpha-Aminophosphonates, Antibacterial}, issn = {1424-6376}, author = {Prasad, Gandavaram Syam and Krishna, Jadaprolu Radha and Manjunath, Manubolu and Reddy, Obulam Vijaya Sarathi and Krishnaiah, Musali and Reddy, Cirandur Suresh and Puranik, Vedavati G.} } @article { ISI:000250557100030, title = {Synthesis of 1-deoxy-1-hydroxymethyl- and 1-deoxy-1-epi-hydroxymethyl castanospermine as new potential immunomodulating agents}, journal = {Journal of Medicinal Chemsitry}, volume = {50}, number = {22}, year = {2007}, month = {NOV}, pages = {5519-5523}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two new C-1 epimeric hydroxymethyl castanospermine congeners 2a and 2b, synthesized by stereocon trolled intramolecular double reductive amination Of D-glucose derived beta-keto ester as a key step, showed impressive immuno-potentiating property. The bioactivity was mediated through up-regulation of T-H1/T-H2 cytokine ratio. The finding suggested that immunmodulatory activity of polyhydroxylated indolizidine alkaloids can be tuned by minor structural/stereochemical alterations.

}, issn = {0022-2623}, doi = {10.1021/jm070660f}, author = {Vyavahare, Vinod P. and Chakraborty, Chaitali and Maity, Biswanath and Chattopadhyay, Subrata and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article {43063, title = {Synthesis of 2-[4-(10H-Substituted Phenothiazine-3-yl)-6-Pyrimidin-2-Phenylthiol/ol/amine/thiol] Pyrroles}, journal = {E-Journal of Chemistry}, volume = {4}, year = {2007}, month = {JAN}, type = {Article}, abstract = {

2-[4-Hydroxy benz-1(propene-1-one)]Pyrrole II on treatment with phenyl thiourea, guanidine carbonate, urea and thiourea in alcoholic KOH yielded compounds III, IV, V, VI which on treatment with different aryl anilines gave compounds VII, VIII, IX, X which under goes cyclisation with sulphur and iodine to give 2-[4-(10H-substituted phenothiazine-3-yl)-6-pyrimidin-2-phenylthiol/-ol/-amine/-thiol] pyrrole XI(a-j), XII(a-j), XIII(a-j) and XIV(a-j) respectively. The structural products were characterized by elemental analysis and spectral data.

}, doi = {10.1155/2007/572543}, author = {Narule, Meghasham and Meshram, Jyotsna S. and Santhakumari, B. and Shanware, A.} } @article { ISI:000252218700032, title = {Synthesis of an indole containing KDR kinase inhibitor by tandem Sonogashira coupling-5-endo-dig-cyclization as a key step}, journal = {Tetrahedron}, volume = {63}, number = {51}, year = {2007}, month = {DEC}, pages = {12786-12790}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of the potent KDR kinase inhibitor 3-[5-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-1H-indol-2-yl]quin oline-2-(1H)-one using a Sonogashira coupling-5-eiido-dig-cyclization strategy is described. (c) 2007 Elsevier Ltd. All rights reserved.

}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.09.075}, author = {Palimkar, Sanjay S. and More, Vijaykumar S. and Kumar, P. Harish and Srinivasan, Kumar V.} } @article { ISI:000252176200024, title = {Synthesis of aromatic poly(amide-imide)s from novel diimide-diacid (DIDA) containing sulphone and bulky pendant groups by direct polycondensation with various diamines}, journal = {European Polymer Journal}, volume = {43}, number = {12}, year = {2007}, month = {DEC}, pages = {5047-5054}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A novel diimide-diacid (DIDA) monomer, 4-{4-[(4-methyl phenyl) sulphonyl]}-1,3-bis-trimellitoimido benzene containing sulphone and bulky pendant groups was successfully synthesized and used to synthesize a series of wholly aromatic poly(amide-imide)s (PAIs) by direct polycondensation method. The direct polycondensation of newly synthesized DIDA with different diamines was carried Out via Yamazaki{\textquoteright}s phosphorylation method using triphenyl phosphite and pyridine system. The resulting poly(amide-imide)s were obtained in quantitative yields with inherent viscosities 0.36-0.47 dl/g in DMAc at 30 +/- 0.1 degrees C. The poly(amide-imide)s were amorphous and were readily soluble in various solvents such as N-methyl-2-pyrrolidinone (NMP), NN-dimethylacetamide (DMAc), N,N-dimethylformamide (DMF), dimethylsulfoxide (DMSO), and pyridine. Tough and flexible films were obtained by casting their DMAc solution. According to thermogravimetric analysis, the polymers were fairly stable up to temperature around 396 degrees C, and 10\% weight losses in the temperature range of 476-511 degrees C that showed good thermal stabilities of these polymers. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {direct polycondensation, poly(amide-imide)s, sulphone and bulky pendant groups, thermally stable polymers}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2007.08.016}, author = {Patil, Prashant S. and Pal, Ravindra R. and Salunkhe, Manikrao M. and Maldar, Noormahamad N. and Wadgaonkar, Prakash P.} } @article {Hung, title = {Synthesis of Bio-diesel and Bio-lubricant by transesterification of vegetable oil with lower and higher alcohols over heteropolyacids supported by clay (K-10)}, journal = {Process Safety and Environmental Protection}, volume = {85}, number = {B5}, year = {2007}, note = {Theoretical Chemistry Symposium 2006 (TCS 2006), Bharathidasan Univ, Trichy, INDIA, DEC 11-13, 2006}, month = {SEP}, pages = {372-377}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{The use of different lower and higher alcohols viz; methanol, ethanol, n-propanol and n-octanol, for the synthesis of methyl, ethyl, propyl and octyl fatty acid esters by transesterification of vegetable oil (triglycerides) with respective alcohols also known as {\textquoteleft}Bio-diesel{\textquoteright} and {\textquoteleft}Biolubricants{\textquoteright} was studied in detail. The reactions were carried out in a batch process. The activity with different supports like clay (K-10), activated carbon, ZSM-5, H-beta and TS-1 were compared. The superacids (heteropolyacids, HPA) viz; Dodeca-Tungstophosphoric acid [

}, keywords = {coprecipitation, lithium aluminate, Microemulsion, Nanoparticles, sol-gel, Surfactants}, issn = {0167-577X}, author = {Bokade, Vijay V. and Yadav, G. D.} } @article { ISI:000251658100005, title = {Synthesis of C-2 methylene glycosides from C-2 propargyloxymethyl glycals exploiting the alkynophilicity of AuCl3}, journal = {Tetrahedron Letters}, volume = {48}, number = {51}, year = {2007}, note = {21st Carbo Symposium 2006, Univ Delhi, Delhi, INDIA, NOV 26-29, 2006}, month = {DEC}, pages = {8960-8962}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

C-2 Methylene glycosides were synthesized from C-2 propargyloxymethyl glycals in a stereoselective manner using a catalytic quantity of AuCl3. The Au-catalyzed reaction was explored using various aglycones. The current protocol enables the preparation of C-2 methylene glycosides, tolerates diverse functional groups and is fast, catalytic and mild. (c) 2007 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.10.144}, author = {Kashyap, Sudhir and Vidadala, Srinivasa Rao and Hotha, Srinivas} } @article { ISI:000244798300032, title = {Synthesis of hydrothermally stable aluminium-containing ethane-silica hybrid mesoporous materials using different aluminium sources}, journal = {Microporous and Mesoporous Materials}, volume = {100}, number = {1-3}, year = {2007}, month = {MAR}, pages = {250-258}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Aluminium-containing ethane-silica hybrid mesoporous materials having ethane groups in the frame wall positions are synthesized using aluminium isopropoxide as well as aluminium nitrate as the aluminium sources. The materials were characterized in detail using powder XRD, N-2 adsorption-desorption, SEM, TEM, TG-DTG, TPD, Si-29, C-13 and Al-27 MAS NMR techniques. Characterization techniques revealed that aluminium isopropoxide was the appropriate source for the synthesis of organo aluminosilicas on considering the structural ordering, acidity as well as the percentage of aluminium incorporation into the ethane bridge. Al-27 MAS NMR displays aluminium as tetrahedrally coordinated in both the aluminium-containing organosilicas. Unlike the conventional EtOH-HCl template extraction process, in the present studies, we had used EtOH-NH4OH as the surfactant-extracting medium and chemical analysis results suggest that using this procedure the extent of dealumination can be greatly reduced. XRD and nitrogen physisorption studies further proved that the materials are hydrothermally stable, that the ordered pore channels retains its structure even after 150 h reflux in boiling water, while the conventional Al-MCM-41 catalyst collapsed its mesostructure after 50 h reflux in water. The improved hydrothermal stability of the hybrid materials, even in presence of sodium ions, is attributed to the thick pore walls as well as due to the presence of hydrophobic bridging ethane groups in the wall positions. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {Al-HMM, Al-MCM-4l, hybrid materials, Hydrothermal stability}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.11.010}, author = {Shylesh, S. and Samuel, Prinson P. and Singh, A. P.} } @article { ISI:000248175000038, title = {Synthesis of La0.7Sr0.3MnO3 at 800 degrees C using citrate gel method}, journal = {Ceramics International}, volume = {33}, number = {6}, year = {2007}, month = {AUG}, pages = {1129-1132}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Manganite systems have been of considerable interest in the recent past due to their potential to operate in wide property range and also to serve as effective magnetic sensing and storing devices when synthesized using stringent conditions. We report a novel citrate gel method, in which La0.7Sr0.3MnO3 system has been synthesized at temperature 800 degrees C (LSMO800) with the synthesis duration is 6 h. The results have been compared with the sample synthesized at 1050 degrees C (LSMO1050). The synthesized bulk polycrystalline sample shows single-phase nature with the increase in particle size from similar to 50 nm to 300 nm with the increase in the sintering temperature. The magnetization data for LSMO800 shows well-defined hysteresis with saturation magnetization at around 1800 Oe and Curie temperature at 360 K, which is slightly lower than that of LSMO1050, which is 375 K. The results can be well attributed to the grain boundary effects. (C) 2006 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {Ceramics, Citrate gel method, CMR, Oxides}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2006.02.008}, author = {Ravi, V. and Kulkarni, S. D. and Samuel, V. and Kale, Sangeeta N. and Mona, J. and Rajgopal, R. and Daundkar, A. and Lahoti, P. S. and Joshi, Rakesh S.} } @article { ISI:000244678100004, title = {Synthesis of L-ido-configured six- and seven-membered carba-sugars}, journal = {Synthesis-Stuttgart}, number = {4}, year = {2007}, month = {FEB}, pages = {523-528}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Ring-closing olefin metathesis has been successfully applied to the modular construction of L-ido-configured six- and seven-membered carba-sugars.

}, keywords = {allylations, carbocycles, carbohydrates, Metathesis, Radical reactions}, issn = {0039-7881}, doi = {10.1055/s-2007-965899}, author = {Ramana, C. V. and Chaudhuri, Siddhartha Ray and Gurjar, Mukund K.} } @article {42600, title = {Synthesis of natural fimbrolides}, journal = {Synthesis-Stuttgart}, year = {2007}, month = {JUL}, pages = {2198-2202}, doi = {10.1055/s-2007-983755}, author = {Haval, Kishan P. and N. P. Argade} } @article {33}, title = {Synthesis of pharmaceutical intermediates by toluene benzylation over heteropoly acids on different support}, journal = {Journal of Natural Gas Chemistry}, volume = {16}, number = {2}, year = {2007}, note = {International Conference on Nano Science and Technology (ICONSAT 2006), New Delhi, INDIA, MAR 16-18, 2006}, month = {JUN}, pages = {186-192}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

{Selective formation of pharmaceutical intermediates like diphenylmethane, dimethyl-diphenylmethane, benzyl toluene and benzoic acid by liquid phase, toluene benzylation with benzyl chloride as a benzylating agent, was systematically studied over plane clay (K-10, montmorillonite), plane H-Beta, plane MFI structured titanosilicate (TS-1) and heteropoly acids [

}, keywords = {heteroassembly, nanoplates, polyfunctional capping agents, shape selective synthesis of gold-silver nanostructures, surface confinement}, issn = {1533-4880}, doi = {10.1016/S1003-9953(07)60046-2}, author = {Bokade, Vijay V. and Yadav, G. D.} } @article { ISI:000243013800061, title = {Synthesis of poly(aniline-co-o-toluidine) coatings and their corrosion-protection performance on low-carbon steel}, journal = {Journal of Applied Polymer Science}, volume = {103}, number = {3}, year = {2007}, month = {FEB}, pages = {1868-1878}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Strongly adherent poly(aniline-co-o-toluidine) coatings were synthesized on low-carbon-steel substrates by the electrochemical copolymerization of aniline with o-toluidine with sodium tartrate as the supporting electrolyte. These coatings were characterized with cyclic voltammetry, ultraviolet-visible absorption spectroscopy, Fourier transform infrared spectroscopy, nuclear magnetic resonance spectroscopy, and scanning electron microscopy. The formation of the copolymer with the mixture of monomers in the aqueous sodium tartrate solution was ascertained by a critical comparison of the results obtained from the polymerizations of the individual monomers, aniline and o-toluidine. The optical absorption spectrum of the copolymer was drastically different from the spectra of the respective homopolymers, polyaniline and poly(o-toluidine). The extent of the corrosion protection offered by poly(aniline-co-o-toluidine) coatings to low-carbon steel was investigated in aqueous 3\% NaCl solutions by open-circuit-potential measurements and a potentiodynamic polarization technique. The results of the potentiodynamic polarization measurements showed that the poly(aniline-co-o-toluidine) coatings provided more effective corrosion protection to low-carbon steel than the respective homo-polymers. The corrosion rate depended on the feed ratio of o-toluidine used for the synthesis of the copolymer coatings. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {Coatings, conducting polymers, copolymerization, synthesis}, issn = {0021-8995}, doi = {10.1002/app.25346}, author = {Pawar, Pritee and Sainkar, S. R. and Patil, P. P.} } @article { ISI:000245142600010, title = {Synthesis of the C19-C34 segment of amphidinolide C}, journal = {Synlett}, number = {4}, year = {2007}, month = {MAR}, pages = {567-570}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The synthesis of the C19-C34 segment of amphidinolide C is described. The key steps include the Mioskowski{\textquoteright}s Lewis acid catalyzed epoxide opening with the alcohol, ring-closing metathesis, Wittig reaction, and Nozaki-Hiyama-Kishi coupling reaction.

}, keywords = {amphidinolide C, Cytotoxic, Nozaki-Hiyama-Kishi coupling, Ring-closing metathesis, Wittig reaction}, issn = {0936-5214}, doi = {10.1055/s-2007-967968}, author = {Mohapatra, Debendra K. and Rahaman, Hasibur and Chorghade, Mukund S. and Gurjar, Mukund K.} } @article { ISI:000250026200021, title = {Synthesis of tinidazole by condensation-oxidation sequence using MoO3/SiO2 bifunctional catalyst}, journal = {Catalysis Communications}, volume = {8}, number = {10}, year = {2007}, month = {OCT}, pages = {1550-1555}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Antimicrobial drug, tinidazole has been synthesized by condensation of 2-methyl,5-nitro-imidazole and 2-ethyl-thio-ethanol over MoO3/SiO2 catalyst to obtain 1-(2-ethyl-thio-ethanol)-2-methyl-5-nitro-imidazole which is further oxidized using hydrogen peroxide using the same MoO3/SiO2 catalyst to obtain tinidazole. MoO3/SiO2 catalyst (20\%), synthesized by sol-gel process showed the highest acid strength and was successfully demonstrated to catalyze both condensation and oxidation in the synthesis of tinidazole. Due to the bifunctional activity of the catalyst, the use of acetic acid for condensation step and tungstic acid or ammonium molybdate for oxidation step in the conventional synthesis of tinidazole could be eliminated, thus making it an environmentally benign process. The catalysts could be recycled five times without any appreciable loss in the conversion and selectivity showing the potential for. the use of MoO3/SiO2 as bifunctional catalyst for the production of this industrially important compound. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {antimicrobial drug, condensation, MoO3/SiO2, Oxidation, solid acid catalyst, tinidazole}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.01.001}, author = {Chandorkar, J. G. and Shubhangi B. Umbarkar and Rode, C. V. and Kotwal, V. B. and Dongare, Mohan K.} } @article {12}, title = {Synthesis, structure, and reactivity of diazoketiminato complexes of platinum(II) and palladium(II): cytotoxic properties of a platinum complex}, journal = {European Journal of Inorganic Chemistry}, volume = {7}, number = {27}, year = {2007}, note = {19th International Symposium on Chemical Reaction Engineering (ISCRE 19), Pottsdam, GERMANY, SEP, 2006}, month = {SEP}, pages = {4272-4281}, publisher = {BASF; Bayer AG; Cargill bvba; Clariant Produkte GmbH; Degussa AG; Schering AG; Siemens AG; SOLVAY GmbH; UHDE GmbH; UHDE Inventa Fischer GbbH}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{Reaction of the 2-(arylazo)anilines Ar-N = N-C6H4NH2 [

}, keywords = {CFD, hydro processing, scale-down, scale-up, trickle bed}, issn = {1528-7483}, doi = {10.1021/cg070194v}, author = {Pratihar, Jahar Lal and Shee, Biswaranjan and Pattanayak, Poulami and Patra, Debprasad and Bhattacharyya, Arindam and Puranik, Vedavati G. and Hung, C. H. and Chattopadhyay, Surajit} } @article { ISI:000256530800003, title = {SbCl(3) as a highly efficient catalyst for the acetylation of alcohols, phenols, and amines under solvent-free conditions}, journal = {Synthetic Communications}, volume = {38}, number = {10}, year = {2008}, month = {APR}, pages = {1518-1526}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Antimony trichloride has been found to be an efficient and expedient catalyst for the acylation of alcohols, phenols, amines, and sugars with acetic anhydride in high yields and in a short reaction time under solvent-free conditions at room temperature. Also, racemization of chiral alcohols and epimerization of sugars were not observed in any of the substrates.

}, keywords = {acetic anhydride, acetylation, antimony trichloride, solvent-free conditions}, issn = {0039-7911}, doi = {10.1080/00397910801928640}, author = {Bhattacharya, Asish K. and Diallo, Mamadou A. and Ganesh, Krishna N.} } @article { ISI:000260230400034, title = {Scanning tunneling microscopic and field emission microscopic studies of nanostructured molybdenum film synthesized by electron cyclotron resonance plasma}, journal = {Vacuum}, volume = {83}, number = {2}, year = {2008}, month = {SEP}, pages = {435-443}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Cathodic sputtering is demonstrated to be effective in synthesizing thin films of molybdenum nanoparticles. An electron cyclotron resonance plasma reactor has been used as the source. The particle size distribution is found to be controllable by proper choice of the cathodic bias potential. Sizes ranging between 20 and 30 nm deposited at the optimum bias potential are found to exhibit a self assembled structure as observed by scanning tunneling microscopy. Field emission microscopic studies on these films supported on W have exhibited very stable emission current over a period of 3 h. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {ECR plasma, Field emission microscopy, Hollow cathode chemical sputtering, Mo nanoparticles, Scanning tunneling microscopy}, issn = {0042-207X}, doi = {10.1016/j.vacuum.2008.04.077}, author = {Purohit, Vishwas S. and Bhise, Ashok B. and Dey, Shirshendu and More, Mahendra A. and Dharmadhikari, C. V. and Joag, Dilip S. and Pasricha, Renu and Bhoraskar, S. V.} } @article { ISI:000261168700002, title = {Second world ayurveda congress (Theme: Ayurveda for the Future) inaugural address: part III}, journal = {Evidence-Based Complementary and Alternative Medicine}, volume = {5}, number = {4}, year = {2008}, month = {DEC}, pages = {367-369}, publisher = {HINDAWI PUBLISHING CORPORATION}, address = {410 PARK AVENUE, 15TH FLOOR, \#287 PMB, NEW YORK, NY 10022 USA}, issn = {1741-427X}, doi = {10.1093/ecam/nen015}, author = {Mashelkar, Raghunath Anant} } @article { ISI:000256270300003, title = {Second world ayurveda congress (Theme: Ayurveda for the Future) - inaugural address: part I}, journal = {Evidence-Based Complementary and Alternative Medicine}, volume = {5}, number = {2}, year = {2008}, month = {JUN}, pages = {129-131}, publisher = {HINDAWI PUBLISHING CORPORATION}, address = {410 PARK AVENUE, 15TH FLOOR, \#287 PMB, NEW YORK, NY 10022 USA}, issn = {1741-427X}, doi = {10.1093/ecam/nen013}, author = {Mashelkar, Raghunath Anant} } @article { ISI:000258961900002, title = {Second world ayurveda congress (Theme: Ayurveda for the Future) - inaugural address: part II}, journal = {Evidence-Based Complementary and Alternative Medicine}, volume = {5}, number = {3}, year = {2008}, month = {SEP}, pages = {243-245}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, issn = {1741-427X}, doi = {10.1093/ecam/nen014}, author = {Mashelkar, Raghunath Anant} } @article { ISI:000256178900015, title = {Selective cis-dihydroxylation of olefins using recyclable homogeneous molybdenum acetylide catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {285}, number = {1-2}, year = {2008}, month = {APR}, pages = {111-119}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Selective cis-dihydroxylation of various olefins has been carried out using molybdenum acetylide complex CpMO(CO)(3)(C CPh) (1) as catalyst and hydrogen peroxide as an efficient and environmentally benign oxidant. In case of cyclohexene, very high conversion (95\%) and selectivity (86\%) for cis-dihydroxylated product has been achieved using H2O2 as an oxidant and t-butanol as a solvent. cis-Dihydroxylation of other substrates like styrene, a-methyl styrene, limonene and cyclopentene has also been carried out with very high selectivity for diol. The catalyst and intermediate species have been characterized using FT-IR, UV-vis spectral analysis and XPS studies as well as cyclic voltametric studies. These studies suggest that molybdenum oxo-peroxo complex is the catalytically active species. The intermediate blue complex when characterized by ESI MS suggested the formation of dimeric molybdenum complex and XPS and cyclic voltametric studies confirm the presence of mixed valence Mo(V) and Mo(VI) in the reaction intermediate. Based on the characterization results possible mechanism for dihydroxylation is proposed. Interestingly, even though the catalyst is homogeneous; it could be recovered quantitatively by extraction in aqueous phase and recycled five times without any appreciable loss in cyclohexene conversion and selectivity for cis-1,2-cyclohexanediol. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {acetylide complex, cis-dihydroxylation, Homogeneous catalysis, Hydrogen peroxide, recyclable}, issn = {1381-1169}, doi = {10.1016/j.molcata.2008.01.034}, author = {Biradar, Ankush V. and Sathe, Bhaskar R. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article { ISI:000260988200019, title = {Selective epoxidation of styrene to styrene oxide by TBHP using simple transition metal oxides (NiO, CoO or MoO3) as highly active environmentally-friendly catalyst}, journal = {Catalysis Communications}, volume = {10}, number = {2}, year = {2008}, month = {NOV}, pages = {205-207}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Simple transition metal oxides, such as NiO, CoO or MoO3, etc. show high catalytic activity for the selective epoxidation of styrene to styrene oxide by TBHP. The order of choice for different transition metal oxides for epoxidation is NiO \> CoO \> MoO3 \> Cr2O3 \> Fe2O3 \> ZnO \>= U3O8 \>\> TiO2 \>\> MnO2. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {CoO, epoxidation, MoO3, NiO, styrene, Styrene oxide, TBHP}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.08.020}, author = {Choudhary, Vasant R. and Jha, Rani and Jana, Prabhas} } @article { ISI:000256043100018, title = {Selective N-oxidation of aromatic amines to nitroso derivatives using a molybdenum acetylide oxo-peroxo complex as catalyst}, journal = {Tetrahedron Letters}, volume = {49}, number = {22}, year = {2008}, month = {MAY}, pages = {3616-3619}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The molybdenum acetylide oxo-peroxo complex obtained in situ by the treatment of the corresponding molybdenum acetylide carbonyl complex, CpMo(CO)(3)(C CPh); Cp = eta(5-)C(5)H(5) with H(2)O(2), has been used as an efficient catalyst for selective N-oxidation of primary amines to nitroso derivatives. Excellent amine conversion (up to 100\%) and very high selectivity for nitroso compounds (99\%) have been obtained using 30\% hydrogen peroxide as an oxidant. The oxo peroxo, Mo(VI) complex has also been found to be very active for the oxidation of various substituted primary aromatic amines with electron donating as well as electron withdrawing substituents on the aromatic ring. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {aromatic amine, Homogenous catalyst, Hydrogen peroxide, Molybdenum complex, nitroso, Oxidation, Oxo-peroxo}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.04.005}, author = {Biradar, Ankush V. and Kotbagi, Trupti V. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000252563300006, title = {Selective oxidation of ethane over Mo-V-Al-O oxide catalysts: insight to the factors affecting the selectivity of ethylene and acetic acid and structure-activity correlation studies}, journal = {Catalysis Letters}, volume = {121}, number = {1-2}, year = {2008}, month = {FEB}, pages = {39-51}, publisher = {SPRINGER}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

Catalysts of general formula, MoVAlOx were prepared with the initial elemental composition of 1:0.34:0.167 (Mo:V:Al) at a pH value in the range of 1-4. The elemental analysis showed that the final composition of the catalysts is pH dependant. The performance of the catalysts was tested for selective oxidation of ethane to give ethylene and acetic acid. While all of them were active for ethane oxidation with a moderate conversion, the catalyst prepared at pH 2 showed a highest activity with 23\% ethane conversion and a combined selectivity of 80.6\% to ethylene and acetic acid. The catalyst prepared at pH 4 was least selective to ethylene and acetic acid. Various techniques like powder XRD, SEM, Raman, UV-Vis and EPR were used to characterize the catalysts and to identify the active phases responsible for the selective oxidation of ethane. The powder XRD data showed that the catalysts prepared at pH 1 and 2 contain mainly of MoO3 and MoV2O8 along with traces of Mo4O11. The amount of MoO3 was slightly higher in the catalyst prepared at pH 1. However, the catalyst prepared at pH 3 contains mainly of MoV2O8 with no trace of MoO3. The catalyst prepared at pH 4 showed V2O5 as the major phase along with MoVAlO4 phase. The Raman data corroborated the XRD results. EPR and UV-Vis studies indicated the presence of traces of V-4 in pH 1 and 2 catalysts and significant amount of Mo5+ in all the catalysts. Thus, the high activity and selectivity to ethylene and acetic acid are attributed to the presence of MoV2O8 phase and other reduced species like Mo4O11 phase supported on MoO3. The presence of V and Mo ions in a partially reduced form seems to play a crucial role in the selective oxidation of ethane.

}, keywords = {Acetic acid, ethane, Ethylene, mixed metal oxide, Selective oxidation}, issn = {1011-372X}, doi = {10.1007/s10562-007-9289-0}, author = {Sankaranarayanan, T. M. and Ingle, Rohit H. and Gaikwad, T. B. and Lokhande, S. K. and Raja, T. and Devi, R. N. and Ramaswamy, V. and Manikandan, Palanichamy} } @article { ISI:000260587200010, title = {Self-diffusion coefficient of ring polymers in semidilute solution}, journal = {Journal of Polymer Science Part B-Polymer Physics}, volume = {46}, number = {21}, year = {2008}, month = {NOV}, pages = {2370-2379}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

In a topologically constraining environment the size of a flexible nonconcatenated ring polymer (macrocycles) and its dynamics are known to differ from that of linear polymers. Hence, the diffusion coefficient of ring polymers can be expected to be different from linear chains. We present here scaling arguments for the concentration and molecular weight dependence of self-diffusion coefficient of ring polymers in semidilute solutions, and show that contrary to expectations these scaling relations are identical to what is known for linear polymers. At higher concentrations excluded volume interactions arising from possibilities of segmental overlap can become effective for large ring polymers. In this regime the diffusion coefficient of large ring polymers shows a relatively weaker dependence on concentration and molecular weight. (C) 2008 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 46: 2370-2379, 2008

}, keywords = {Diffusion, Macrocycles, Monte Carlo simulation}, issn = {0887-6266}, doi = {10.1002/polb.21569}, author = {Iyer, Balaj V. S. and Shanbhag, Sachin and Juvekar, Vinay A. and Lele, Ashish K.} } @article { ISI:000263320900032, title = {Sequence-specific unusual (1 -> 2)-type helical turns in alpha/beta-hybrid peptides}, journal = {Journal of the American Chemical Society}, volume = {130}, number = {52}, year = {2008}, month = {DEC}, pages = {17743-17754}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

This article describes novel conformationally ordered (alpha/beta-hybrid peptides consisting of repeating L-proline-anthranilic acid building blocks. These oligomers adopt a compact, right-handed helical architecture determined by the intrinsic conformational preferences of the individual amino acid residues. The striking feature of these oligomers is their ability to display an unusual periodic pseudo beta-turn network of nine-membered hydrogen-bonded rings formed in the forward direction of the sequence by 1{\textendash}\>2 amino acid interactions both in solid-state and in solution. Conformational investigations of several of these oligomers by single-crystal X-ray diffraction, solution-state NMR, and ab initio MO theory suggest that the characteristic steric and dihedral angle restraints exerted by proline are essential for stabilizing the unusual pseudo beta-turn network found in these oligomers. Replacing proline by the conformationally flexible analogue alanine (Ala) or by the conformationally more constrained alpha-amino isobutyric acid (Aib) had an adverse effect on the stabilization of this structural architecture. These findings increase the potential to design novel secondary structure elements profiting from the steric and dihedral angle constraints of the amino acid constituents and help to augment the conformational space available for synthetic oligomer design with diverse backbone structures.

}, issn = {0002-7863}, doi = {10.1021/ja804297f}, author = {Prabhakaran, Panchami and Kale, Sangram S. and Puranik, Vedavati G. and Rajamohanan, P. R. and Chetina, Olga and Howard, Judith A. K. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000257640400029, title = {Serine protease inhibitor from hemolymph of green mussel, perna viridis}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {18}, number = {14}, year = {2008}, month = {JUL}, pages = {3963-3967}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Bioactivity guided fractions of cell-free hemolymph of bacterially challenged marine mussel, Perna viridis led to the isolation of a novel quaternary alkaloid 1, which was identified by its spectral data. The isolated molecule 1 has been found to be a potent serine protease inhibitor ( SPI) showing IC(50) and K(i) values of 102.5 and 97.1-104.68 mu M, respectively. The E(t)/K(i) value of SPI is 6.3, whereas E(t)/K(m) value is 1.04. The Van{\textquoteright}t Hoff analysis showed that the value of K(i) decreases with increase in temperature, and the binding of the inhibitor is entropically driven. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {hemolymph, Natural product, Perna viridis, protease inhibitor}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.06.010}, author = {Khan, M. S. and Goswami, U. and Rojatkar, S. R. and Khan, Mohammad Islam} } @article { ISI:000261745700001, title = {Shape-dependent electrocatalytic activity of platinum nanostructures}, journal = {Journal of Materials Chemistry}, volume = {18}, number = {48}, year = {2008}, month = {SEP}, pages = {5858-5870}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Since many metallic nanostructures with different shapes exhibit unique chemical and physical properties, a systematic attempt to synthesize these shape-controlled structures for property-shape correlation remains an important challenge in contemporary materials chemistry. Main difficulties like poor shape selectivity, low yield, presence of impurity phases, difficulty of separation, etc., are exacerbated since metallic structures have high surface energies which favour lower surface areas, and consequently many synthesis strategies, including the use of hard and soft templates and external nucleating agents, are being employed along with theoretical guidelines from density functional calculations on simpler systems. One of the important application areas where these structures have gained profound attention is in electrocatalysis, where the kinetics of many structure-sensitive reactions of technological relevance have been experimentally observed to show drastic changes with shape especially in the nanosize domain, at least in one dimension. Considering their scientific and technological importance, this feature article provides an overview of the recent progress on the shape-controlled synthesis of metallic nanostructures with special emphasis on platinum, and their crucial role in the electrocatalysis of anodic reactions for polymer electrolyte fuel cells.

}, issn = {0959-9428}, doi = {10.1039/b811149a}, author = {Subhramannia, Mahima and Pillai, Vijayamohanan K.} } @article { ISI:000252757100013, title = {Sheet-forming abiotic hetero foldamers}, journal = {Chemical Communications}, number = {6}, year = {2008}, month = {DEC}, pages = {712-714}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Abiotic hetero oligomers, adopting a well-defined extended self-assembled sheet-like structure, derived from conformationally constrained aliphatic and aromatic amino acid residues repeating at regular intervals are reported.

}, issn = {1359-7345}, doi = {10.1039/b713229h}, author = {Baruah, Pranjal K. and Sreedevi, Naduthottiyil K. and Majumdar, Baisakhi and Pasricha, Renu and Poddar, Pankaj and Gonnade, Rajesh G. and Ravindranathan, Sapna and Sanjayan, Gangadhar J.} } @article { ISI:000260843500013, title = {Short enantioselective synthesis of (-)-bestatin via L-proline-catalyzed alpha-amination of an aldehyde}, journal = {Tetrahedron Letters}, volume = {49}, number = {48}, year = {2008}, month = {NOV}, pages = {6791-6793}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and high yielding enantioselective synthesis of (-)-bestatin, a naturally occurring aminopeptidase inhibitor, is described Via L-proline-catalyzed asymmetric alpha-amination of 3-phenylpropionaldehyde as the key reaction. The methodology also involves a Pd-catalyzed intramolecular cyclization of an allylic acetate giving a trans-oxazoline in a highly diastereoselective manner (dr \> 14:1). (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.09.054}, author = {George, Shyla and Suryavanshi, Gurunath S. and Sudalai, Arumugam} } @article { ISI:000259537800008, title = {Short enantioselective synthesis of (+)-L-733,060 via Shi epoxidation of a homoallylic carboxylate}, journal = {Tetrahedron Letters}, volume = {49}, number = {40}, year = {2008}, month = {SEP}, pages = {5736-5738}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and efficient enantioselective synthesis of (+)-L-733,060 in 92\% ee via Shi epoxidation of a homoallylic carboxylate is described. Johnson-Claisen rearrangement was employed to obtain the required carbon backbone, whilst intramolecular reductive O-to-N-ring expansion of a delta-azidolactone was used in the construction of the piperidine moiety. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2-aminoalcohols, 3, 3-sigmatropic rearrangement, asymmetric epoxidation, Lactone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.07.086}, author = {Emmanuvel, Lourdusamy and Sudalai, Arumugam} } @article { ISI:000257349100007, title = {Silicate nanoparticles by bioleaching of glass and modification of the glass surface}, journal = {Journal of Non-Crystalline Solids}, volume = {354}, number = {29}, year = {2008}, month = {JUL}, pages = {3433-3437}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Bioleaching is examined as a low temperature (50 degrees C) soft chemical approach to nanosynthesis and surface processing. We demonstrate that fungus based bioleaching of borosilicate glass enables synthesis of nearly monodispersed ultrafine (similar to 5 +/- 0.5 nm) silicate nanoparticles. Using various techniques such as X-ray diffraction, X-ray photoelectron spectroscopy and FTIR we compare the constitution and composition of the nanoparticles with that of the parent glass, and establish the basic similarities between the two. The bioleaching process is shown to enhance the non-bridging oxygen component and correspondingly influence the Si-O-Si network. The root mean square roughness of glass surface is seen to increase from 1.27 nm for bare glass to 2.52 nm for 15 h fungal processed case, this increase being equivalent to that for glass annealed at 500 degrees C. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Bioglass, Biomaterials, borosilicates, narroparticles}, issn = {0022-3093}, doi = {10.1016/j.jnoncrysol.2008.03.025}, author = {Kulkarni, Sneha and Syed, Asad and Singh, Sanjay and Gaikwad, Anil and Patil, Kashinath and Vijayamohanan, K. and Ahmad, Absar and Ogale, Satishchandra} } @article { ISI:000254948900017, title = {Simple and efficient one-pot, three-component, solvent-free synthesis of beta-enaminones via sonogashira coupling-Michael addition sequences}, journal = {Synthetic Communications}, volume = {38}, number = {9}, year = {2008}, month = {APR}, pages = {1456-1469}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A simple, efficient, and environmentally friendly one-pot, three-component synthesis of beta-enaminones via Sonogashira coupling-Michael addition sequences under solvent-free conditions has been reported. Also the synthesis of beta-enaminones has been achieved in high yields by the direct reaction of amines with ynones under solvent-free conditions.

}, keywords = {Alkynes, beta-enaminones, coupling, Michael additions, solvent free, ynones}, issn = {0039-7911}, doi = {10.1080/00397910801914343}, author = {Palimkar, Sanjay S. and More, Vijaykumar S. and Srinivasan, Kumar V.} } @article { ISI:000255300600009, title = {Simple whole cell based high throughput screening protocol using Mycobacterium bovis BCG for inhibitors against dormant and active tubercle bacilli}, journal = {Journal of Microbiological Methods}, volume = {73}, number = {1}, year = {2008}, month = {APR}, pages = {62-68}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This study aimed at developing a whole cell based high throughput screening protocol to identify inhibitors against both active and dormant tubercle bacilli. A respiratory type of nitrate reductase (NarGHJI), which was induced during dormancy, could reflect the viability of dormant bacilli of Mycobacterium bovis BCG in microplate adopted model of in vitro dormancy. Correlation between reduction in viability and nitrate reductase activity was seen clearly when dormant stage inhibitor metronidazole and itaconic anhydride were applied in this in vitro microplate model. Active replicating stage could also be monitored in the same assay by measuring the A(620) of the culture. MIC values of 0.08, 0.075, 0.3 and 3.0 mu g/ml, determined through monitoring A(620) in this assay for rifampin, isoniazid, streptomycin and ethambutol respectively, were well in agreement with previously reported by BACTEC and Bio-Siv assays. S/N ratio and Z{\textquoteright} factor for the assay were 8.5 and 0.81 respectively which indicated the robustness of the protocol. Altogether the assay provides an easy, inexpensive, rapid, robust and high content screening too] to search novel antitubercular molecules against both active and dormant bacilli. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {high throughput screening, tuberculosis, Wayne{\textquoteright}s dormancy model, whole cell based assay}, issn = {0167-7012}, doi = {10.1016/j.mimet.2008.01.015}, author = {Khan, Arshad and Sarkar, Dhiman} } @article { ISI:000259342400009, title = {Size dependent coordination behavior and cation distribution in MgAl2O4 nanoparticles from Al-27 solid state NMR studies}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {38}, year = {2008}, month = {SEP}, pages = {14737-14744}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nanoparticles of spinel-type oxides such as ferrites offer great advantages and applications in many important areas. Decreasing the size of the particles to nanometer size will increase the surface-to-volume ratio and this will strongly influence the physical and chemical properties of these materials. For magnetic nanoparticles, the exchange interactions at the surface of a particle will be different from those inside due to changes in the coordination behavior at the surface. Therefore, studying and understanding the coordination and distribution behavior of the different metal ions in the nanoparticles of spinel-type oxides is very important. Solid state NMR is a useful and important technique to obtain information on local structural variations. The degree of the distribution of the Al3+ ions in the tetrahedral and octahedral sites in the nanoparticles of the nonmagnetic spinet MgAl2O4 having different particle sizes has been determined by Al-27 magic-angle spinning (MAS) NMR spectroscopy. It has been observed that the inversion parameter decreases with increasing particle size. Apart from the usual tetrahedral and octahedral coordinations present in the bulk material, the presence of five- and three-coordinated At has been observed in nanoparticles with sizes less than 18 nm and a second octahedral coordination is observed for nanoparticles of larger sizes.

}, issn = {1932-7447}, doi = {10.1021/jp800412k}, author = {Sreeja, V. and Smitha, T. S. and Nand, Deepak and Ajithkumar, Thalasseril G. and Joy, Pattayil Alias} } @article { ISI:000253339800027, title = {Sn-119 magic angle spinning NMR of nanocrystalline SnO2}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {1}, year = {2008}, month = {JAN}, pages = {321-328}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Nanocrystalline SnO2 samples of different grain sizes, prepared by inert gas condensation technique (IGCT) and chemical precipitation method and conforming to the tetragonal phase, have been studied by variable speed (3-10 kHz) Sn-119 MAS NMR at 11.74 Tesla field. Sn-119 solid-state NMR results show that the IGCT prepared samples have good crystallinity and phase purity compared to the samples prepared by the chemical method. The determination of Sn-119 chemical shielding parameters (delta(iso), Delta delta and eta) from slow MAS spectra shows that the Sn-119 isotropic chemical shift (delta(iso)) is strongly influenced at smaller grain sizes, attributable to the change in the O2- local symmetry for the surface Sn-119 ions at smaller grain sizes. The observed line widths in MAS spectra are significantly larger than the life-time broadening due to spin-lattice (T-1) and spin-spin (T,) relaxation. The Sn-119 MAS NMR spectra are thus inhomogeneously broadened by a distribution of isotropic chemical shifts, the line broadening increasing with decrease in grain size.

}, keywords = {Hydrolysis, IGCT, MAS NMR, nanocrystalline SnO2}, issn = {1533-4880}, doi = {10.1166/jnn.2008.015}, author = {Sabarinathan, V. and Chandran, C. Vinod and Ramasamy, S. and Ganapathy, Subramanian} } @article { ISI:000260774300012, title = {Sol-gel synthesis of MoO(3)/SiO(2) composite for catalytic application in condensation of anisole with paraformaldehyde}, journal = {Catalysis Letters}, volume = {126}, number = {3-4}, year = {2008}, month = {DEC}, pages = {286-292}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

MoO(3)/SiO(2) composite with varying amounts of MoO(3) loading (1-20 wt.\%) were prepared by sol-gel method and calcined at 500 C. These catalysts were employed for the liquid phase condensation of anisole with paraformaldehyde. All the catalysts were characterized by N(2) sorption, XRD, and NH(3)-TPD. The activities of synthesized MoO(3)/SiO(2) catalysts were compared with p-toluene sulfonic acid (p-TSA), the most frequently used catalyst for the condensation reactions, and with a supported metal oxide (WO (x) /ZrO(2)). Under the similar reaction conditions, synthesized 10 wt.\% MoO(3)/SiO(2) catalyst calcined at 500 C was found to be the most active in the condensation of anisole with paraformaldehyde.

}, keywords = {4, 4{\textquoteright}-Dimethoxydiphenylmethane, Condensation of anisole, MoO(3)/SiO(2) composites, Paraformaldehyde, Sol-gel synthesis}, issn = {1011-372X}, doi = {10.1007/s10562-008-9611-5}, author = {Amrute, Amol P. and Bordoloi, Ankur and Lucas, Nishita and Palraj, K. and Halligudi, Shivaraj B.} } @article { ISI:000254587500014, title = {Solvent-free and nonisocyanate melt transurethane reaction for aliphatic polyurethanes and mechanistic aspects}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {46}, number = {7}, year = {2008}, month = {APR}, pages = {2445-2458}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A novel melt transurethane polycondensation route for polyurethanes under solvent-free and nonisocyanate condition was developed for soluble and thermally stable aliphatic or aromatic polyurethanes. The new transurethane process was investigated for A + 13, A-A + B, and A-A + B-B (A-urethane and B-hydroxyl) type condensation reactions, and also monomers bearing primary and secondary urethane or hydroxyl functionalities. The transurethane process was confirmed by H-1 and C-13 NMR, and molecular weight of the polymers were obtained as M-n = 10-15 X 10(3) and M-w = 15-45 X 10(3) g/mol. The mechanistic aspects of the melt transurethane process and role of the catalyst were investigated using model reactions, H-1 NMR, and MALDI-TOF-MS. The model reactions indicated the occurrence of 97\% reaction in the presence of catalyst, whereas its absence gave only less than 2\% of the product. The polymer samples were subjected for end-group analysis using MALDI-TOF-MS, which confirms the Ti-catalyst mediated nonisocyanate pathway in the melt transurethane process. Almost all the polyurethanes were stable up to 280 degrees C, and the T-g of the polyurethanes can be easily fine-tuned from -30 to 120 degrees C by using appropriate diols in the melt transurethane process. (C) 2008 Wiley Periodicals, Inc.

}, keywords = {MALDI, melt polymerization, nonisocyanate, Polycondensation, polyurethanes, thermal stability, transurethane}, issn = {0887-624X}, doi = {10.1002/pola.22578}, author = {Deepa, P. and Jayakannan, M.} } @article { ISI:000254798300017, title = {Spectrophotometric method for estimation of aliphatic primary amines in biological samples}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {24}, number = {4}, year = {2008}, month = {APR}, pages = {573-576}, publisher = {SPRINGER}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

A method based on Rimini test for aliphatic amines was studied and developed for quantitative estimation of aliphatic primary amines. The method involves action of the amine with acetone to form schiff base which complexes with sodium nitroprusside to give violet colour. The absorption maximum in the visible range of the spectrum, for the reaction mixture was found to be 550 nm. The pH (8-11) and reaction time scan for the assay were optimized. A linear relation of concentration (0.2-3 mg/mL) of amine against absorbance at 550 nm was established. Interference due to other reaction components was negligible (+/- 0.02 mg/mL) as compared to the sample in buffer. 1,3-dimethyl butylamine was used as the model amine and the method was applied to other amines; it was observed that when electron-withdrawing substituents are present in the molecule the reaction is retarded, as the incubation time was longer. This method is useful for estimation of aliphatic primary amine in biological samples.

}, keywords = {determination, estimation, primary aliphatic amines, Schiffs base, sodium nitroprusside, spectrophotometric}, issn = {0959-3993}, doi = {10.1007/s11274-007-9499-z}, author = {Varma, Rita J. and Gaikwad, Bhaskar G.} } @article { ISI:000260776800046, title = {Static and dynamic magnetic properties of Co nanoparticles}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {8}, year = {2008}, note = {International Conference on Advanced Nano-Materials, Indian Inst Technol, Phys Dept, Bombay, INDIA, JAN 08-10, 2007}, month = {AUG}, pages = {4086-4091}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Co nanoparticles have been synthesized using wet-chemical methods. As-synthesized particles show a sharp low temperature peak in zero-field cooled (ZFC) magnetization well below the blocking transition temperature and this feature is associated with surface spin disorder. We have investigated the dynamic magnetic properties of Co using ac susceptibility and resonant RF transverse susceptibility (TS). We also studied the memory and relaxation effects in these nanoparticle systems. From these measurements we show a typical blocking behavior of an assembly of superparamagnetic nanoparticles with a wide distribution of blocking temperatures. The transverse susceptibility measurements on these particles show the presence of anisotropy even above the blocking temperature. The role of surface anisotropy and the size distribution of the particles on the observed memory and magnetic relaxation effects are discussed.

}, keywords = {Ac Susceptibility, Co Nanoparticles, Magnetic relaxation, Transverse Susceptibility}, issn = {1533-4880}, doi = {10.1166/jnn.2008.AN06}, author = {Srinath, S. and Poddar, P. and Sidhaye, Deepti S. and Bhagavatula L. V. Prasad and Gass, James and Srikanth, H.} } @article { ISI:000253896400027, title = {Steady state and time-resolved fluorescence studies of a hemagglutinin from Moringa oleifera}, journal = {Journal of Fluorescence}, volume = {18}, number = {2}, year = {2008}, month = {MAR}, pages = {479-485}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The saccharide binding and conformational characterization of a hemagglutinin, a low molecular weight protein from the seeds of Moringa oleifera was studied using steady state and time resolved fluorescence. The lectin binds sugars LacNAc (K-a = 1380 M-1) and fructose (K-a = 975 M-1), as determined by the fluorescence spectroscopy. It has a single tryptophan per monomer which is exposed on the surface and is in a strong electropositive environment as revealed by quenching with iodide. Quenching of the fluorescence by acrylamide involved both static (K-s = 0.216 M-1) and collisional (K-sv= 8.19 M-1) components. The native protein showed two different lifetimes, tau(1) (1.6 ns) and tau(2) (4.36 ns) which decrease and get converted into a single one, (2.21 ns) after quenching with 0.15 M acrylamide. The bimolecular quenching constant, k(q) was 7.55 x 10(11) M-1 s(-1). ANS binding studies showed that the native protein has exposed hydrophobic patches which get further exposed at extreme acidic or alkaline pH. However, they get buried in the interior of the protein in presence of 1 M GdnHCl or urea.

}, keywords = {ANS binding, fluorescence, Hemagglutinin, lifetime, Moringa oleifera, saccharide binding, Solute quenching}, issn = {1053-0509}, doi = {10.1007/s10895-007-0289-7}, author = {Katre, Uma V. and Suresh, C. G. and Khan, Mohammad Islam and Gaikwad, Sushama M.} } @article { ISI:000256839100021, title = {Stereoselective synthesis of beta-C-Allyl- and beta-C-propargyl-D-arabinofuranosides}, journal = {Synthesis-Stuttgart}, number = {11}, year = {2008}, month = {JUN}, pages = {1783-1787}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The stereoselective synthesis of beta-configured C-allyl- and C-propargyl-D-arabinofuranosides (4,7-anhydro-1,2,3-deoxy-D-gluco-oct-1-enitols and -oct-1-ynitols) was addressed by employing allylation/propargylation of a dialdofuranose under aqueous Barbier reaction conditions and acid-catalyzed furan ring transposition of 5-O-mesyl-manno-oct-7-eno- or 5-O-mesyl-manno-oct-7-ynofuranoside derivatives.

}, keywords = {Allylation, Barbier reaction, C-glycoside, D-mannose, propargylation, Ring transposition}, issn = {0039-7881}, doi = {10.1055/s-2008-1067016}, author = {Ramana, C. V. and Narute, Sachin B. and Gonnade, Rajesh G. and Patil, Rahul S.} } @article { ISI:000263106900028, title = {Stereoselective synthesis of (S)-dapoxetine starting from trans-cinnamyl alcohol}, journal = {Arkivoc}, year = {2008}, month = {JAN}, pages = {302-310}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

A novel stereoselective synthesis of (S)-dapoxetine starting from commercially available trans-cinnamyl alcohol is described. Sharpless Asymmetric Epoxidation (SAE) is utilized as the key step in this synthetic strategy.

}, keywords = {(S)-dapoxetine, antidepressant, Sharpless asymmetric epoxidation, stereoselective synthesis}, issn = {1424-6376}, author = {Venkatesan, K. and Srinivasan, K. V.} } @article { ISI:000253170200010, title = {Stereoselective synthesis of the C33-C44 fragment of palau{\textquoteright}amide}, journal = {Tetrahedron Letters}, volume = {49}, number = {5}, year = {2008}, month = {JAN}, pages = {786-789}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient stereoselective synthesis of the C33-C44 fragment of palau{\textquoteright}amide is described using a Sharpless asymmetric epoxidation, a regioselective nucleophilic ring opening of the epoxide, a Grignard reaction and a Luche stereoselective reduction of a keto compound as the key steps. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Cytotoxic, Luche{\textquoteright}s stereoselective reduction, palau{\textquoteright}amide, Sharpless asymmetric epoxidation, Stereoselective}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.11.200}, author = {Mohapatra, Debendra K. and Nayak, Sabita} } @article {42823, title = {Stochastic modeling of biological reactions}, journal = {Journal of the Indian Institute of Science}, volume = {88}, year = {2008}, month = {JAN}, pages = {45-55}, abstract = {

Several biological systems comprise of reaction networks where the low number of molecules makes it inappropriate to completely characterize system behavior using a continuous approach. Biological systems are also characterized by discrete states (e.g. infected, dead) that are not amenable to the use of a continuous descriptor. This review discusses the need for adopting a discrete stochastic modeling approach for analyzing biological reactions networks. Various stochastic simulation procedures and theoretical studies are presented. The challenges in the theoretical and computational analysis of discrete stochastic biological reaction networks are discussed.

}, author = {Gadgil, Chetan J.} } @article { ISI:000261163000013, title = {Structural elucidation of propargylated products of 3-substituted-1,2,4-triazole-5-thiols by NMR techniques}, journal = {Magnetic Resonance in Chemistry}, volume = {46}, number = {12}, year = {2008}, month = {DEC}, pages = {1168-1174}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

Propargylation of 3-substituted-1,2,4-triazole-5-thiols, which predominantly exist as their thione tautomers, was carried out with the view to synthesize different heterocycles and study their biological activity. Three different products namely, a mono S-propargyl and two S,N-dipropargyl regioisomers, arising from N1/N2 substitution, were isolated and characterized. Unambiguous structural elucidation of the regioisomers of S,N-dipropargyl derivatives was achieved by means of (13)C-(1)H HMBC technique. The proportion of the regioisomers was found to vary with the substituent on the 1,2,4-triazole thiols. No product corresponding to N4 substitution was isolated from any of the reactions carried out. Copyright (C) 2008 John Wiley \& Sons, Ltd.

}, keywords = {(1)H NMR, (13)C NMR, (15)N NMR, 1, 2, 4-triazoles, HMBC, NMR, Regioisomers}, issn = {0749-1581}, doi = {10.1002/mrc.2307}, author = {Chaudhary, Preeti M. and Chavan, Sayalee R. and Kavitha, M. and Maybhate, Shailaja P. and Deshpande, Sunita R. and Likhite, Anjali P. and Rajamohanan, P. R.} } @article { ISI:000261133600023, title = {Structural features of Penicillin acylase adsorption on APTES functionalized SBA-15}, journal = {Microporous and Mesoporous Materials}, volume = {116}, number = {1-3}, year = {2008}, month = {DEC}, pages = {157-165}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The immobilization of Penicillin acylase (PGA) enzyme (which belongs to the Ntn hydrolase super family) into the amino-functionalized SBA-15 mesoporous molecular sieve is carried out to see the effect of silica as a host matrix on the enzyme kinetics. Physicochemical characterization by nitrogen adsorption, powder XRD and TEM methods indicate that the characteristic hexagonal features and the original pore structure of the parent SBA-15 is retained even after the incorporation of PGA. The adsorption of PGA on SBA15 shows a dependence on the pore volume and the composition of the adsorbent. The maximum loading of the enzyme was observed at pH 7.8, slightly below the isoelectric point of the enzyme. The loading capacity of immobilized PGA is 34 mg protein per 0.5 g of SBA-15. The trapped enzyme is more stable than the soluble form to temperature and pH environments and retained 73\% of its activity after immobilization. This enhanced stability is attributed to the protective nature of the cage itself and to the rigidity of the SiO(2) matrix, which reduces the freedom of peptide-chain refolding of molecular motions that occur in denaturation processes. The strength of binding is very strong; however, the activity of the immobilized enzyme is then simply restored with very little leakage of enzyme from the support. An important feature of the immobilized PGA enzyme is the excellent reusability without significant loss in activity, which indicates potentially exciting industrial/biomedical application of this support. (C) 2008 Elsevier Inc. All rights reserved.

}, keywords = {Penicillin G acylase, PGA immobilized SBA-15, pH and temperatures stability, SBA-15}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2008.03.030}, author = {Shah, Pallavi and Sridevi, N. and Prabhune, Asmita and Ramaswamy, Veda} } @article { ISI:000260776800015, title = {Structure and microbial synthesis of sub-10 nm Bi2O3 nanocrystals}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {8}, year = {2008}, month = {AUG}, pages = {3909-3913}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

After the advent of novel chemical and microbial techniques, providing control over grain size and shape of the nanomaterials, several binary-oxide materials have been explored in size less than 10 nm for their tunable physical properties. Bi2O3 nanoparticles have also redrawn attention due to their excellent properties, mostly as optoelectronic material. Here, we report the room-temperature biosynthesis of Bi2O3 nanoparticles in a size range of 5-8 nm by extra-cellularly challenging the plant pathogenic fungus-Fusarium oxysporum with the bismuth nitrate as precursor. The as-synthesized particle-surfaces are inherently functionalized by a robust layer of proteins which provides them very good stability in the aqueous medium. Structural investigation using selected area electron diffraction, high resolution transmission electron microscopy and powder XRD shows that particles are almost perfectly single crystalline and primarily crystallize in alpha-phase with monoclinic structure.

}, keywords = {Biosynthesis, fungi, High Refractive Index, High Resolution TEM, Nanoparticles}, issn = {1533-4880}, doi = {10.1166/jnn.2008.179}, author = {Uddin, Imran and Adyanthaya, Suguna D. and Syed, Asad and Selvaraj, K. and Ahmad, Absar and Poddar, Pankaj} } @article { ISI:000252940800007, title = {Structure sensitivity of nano-structured CdS/SBA-15 containing Au and PtCo-catalysts for the photocatalytic splitting of water}, journal = {Catalysis Letters}, volume = {121}, number = {3-4}, year = {2008}, month = {MAR}, pages = {226-233}, publisher = {SPRINGER}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

Photocatalysts containing nanocrystallites of cadmium sulphide dispersed in the channels of mesoporous silicate SBA-15 exhibited enhanced activity for visible-light mediated splitting of water, as compared to bulk CdS. Whereas the incorporation of 1 wt.\% Pt co-catalyst in CdS/SBA-15 led to a substantial increase in H-2 yield, Au at similar loading resulted in marginally decreased activity. The results indicate that the photocatalytic activity of CdS crystallites is structure sensitive. Similarly, the role of a noble metal may be associated with the particle size dependent micro-structural features, rather than its electronic properties such as the work function or the heat of adsorption of reactant or product molecules.

}, keywords = {nano-structured cadmium sulphide, Photocatalysis, role of noble metal co-catalyst, Splitting of water, structure sensitivity}, issn = {1011-372X}, doi = {10.1007/s10562-007-9319-y}, author = {Lunawat, Puja S. and Kumar, Rajiv and Gupta, Narendra M.} } @article { ISI:000253563900018, title = {Structure-activity relationship of a hemagglutinin from Moringa oleifera seeds}, journal = {International Journal of Biological Macromolecules}, volume = {42}, number = {2}, year = {2008}, month = {MAR}, pages = {203-207}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The hemagglutinin from the seeds of Moringa oleifera (MoL) agglutinates human as well as rabbit erythrocytes; the affinity for the latter is almost 250 times more than that for the former. MoL was inhibited by glycoproteins namely thyroglobulin, fetuin and holotransferin indicating the complex sugar specificity of the lectin. The protein is a homodimer with molecular mass of 14 kDa, subunits (7.1 kDa) linked by the disulfide bond(s). The secondary structure elements of MoL area-helix, 28\%; beta-sheet, 23\%; turn 20\% and unordered 28\%. While the activity and secondary structure were not affected at extreme pH and high temperature, they were drastically affected in presence of dithiothreitol at and above pH 7.0, indicating that disulfide linkages hold the active conformation of the protein. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {disulfide linkages, Moringa oleifera hemagglutinin, Secondary structure}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2007.10.024}, author = {Katre, Uma V. and Suresh, C. G. and Khan, Mohammad Islam and Gaikwad, Sushama M.} } @article { ISI:000258108200006, title = {Studies in structural characterization and correlation with the catalytic activity of an efficient and stable WOx/SBA-15 nanocomposite catalyst}, journal = {Journal of Catalysis}, volume = {257}, number = {2}, year = {2008}, month = {JUL}, pages = {283-290}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

A new WOx/SBA-15 nanocomposite catalyst system was developed by hydrothermal synthesis. The material was characterized by X-ray diffraction, high-resolution transmission electron microscopy, sorption analysis, FT-IR, CP-MAS NMR, XPS, and energy-dispersive X-ray analysis. Various types of aromatic and aliphatic sulfides were selectively oxidized to sulfoxides in good to excellent yields without becoming overoxidized to the sulfones using 70\% aq. tert-butyl hydrogen peroxide in the presence of nanocomposite catalyst at room temperature. The catalyst could be easily recovered and reused for at least eight reaction cycles under the reaction conditions described here with no significant loss of reactivity. (c) 2008 Elsevier Inc. All rights reserved.

}, keywords = {catalytic oxidation, mesoporous materials, Sulfides, Sulfoxides, tungsten oxide nanocluster}, issn = {0021-9517}, doi = {10.1016/j.jcat.2008.05.015}, author = {Bordoloi, Ankur and Halligudi, Shivaraj B.} } @article { ISI:000256285600005, title = {Studies on optimization of cultural conditions and effect of media constituents on production of intracellular penicillin V acylase from Erwinia aroideae (DSMZ 30186)}, journal = {Research Journal of Biotechnology}, volume = {3}, number = {2}, year = {2008}, month = {MAY}, pages = {26-30}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {

Penicillin V acylase (PVA) is a pharmaceutically important enzyme. Erwinia aroideae (DSMZ 30186) produced high levels of intracellular penicillin V acylase. Amongst various carbon sources used (2.0 \%); fructose, galactose, sucrose and mannitol increased enzyme production up to 579, 544, 534 and 504 IU/g dry weight (DW), respectively, compared to minimal media (263 IU/g DW); however maximum PVA productivity (2796 IU/ L) was achieved using fructose. Ammonium ions escalated the enzyme production to 1266.9 IU/g DW; however sodium glutamate was the best nitrogen source for overall productivity of enzyme (2045 IU/ L). Cornsteep liquor and skim milk were used as supplements; 1.0 \% cornsteep liquor and 3.0 \% skim milk were optimum for the production of PVA up to 823 and 93 IU/g DW, respectively. Optimum cultural conditions for the production of PVA from E. aroideae were standardized. Erwinia aroideae produced 1543 IU/g DW penicillin V acylase in Erlenmeyer flasks (250 ml) containing 50 ml of minimal medium with 0.3\% ammonium sulphate, pH 7. 0 at 28 degrees C and 180 rpm when incubated for 56 hr.

}, keywords = {carbon sources, Erwinia aroideae, intracellular, nitrogen sources, Penicillin V acylase}, issn = {0973-6263}, author = {Atul, Kumar and Vivek, Lonkar and Archana, Pundle} } @article { ISI:000262306600016, title = {Studies on the effect of glass transition on the crystalline transition in syndiotactic polystyrene - solvent complexes}, journal = {Macromolecular Symposia}, volume = {273}, year = {2008}, note = {7th Conference on Polymer Solvent Complexes and Intercalates, Marrakech, MOROCCO, MAY 21-23, 2008}, month = {NOV}, pages = {109-114}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Amorphous syndiotactic polystyrene (sPS) was crystallized at room temperature in Norbornadiene (bicyclo[2,2,1]-hepta-2,5-diene), Mesitylene (1,3,5-Trimethyl benzene), 3-Carene (3,7,7-trimethyl bicyclo[4,1,0]hept-3-ene) and DMN (1,4-Dimethylnaphthalene) to form the sPS-solvent complex (h form) with respective solvent molecules. In situ HTFTIR studies showed that the delta form to gamma form transformation temperature occurs well below the glass transition temperature of sPS, which is depressed due to the presence of solvent in the amorphous phase; higher the solvent content in the complex, lower the transition temperature. Glass transition temperatures determined by Modulated differential scanning calorimetry (MDSC) coincide with the transition temperatures, indicating that the delta form transforms into gamma form at the glass transition temperature for these complexes. Such a behavior is very different from the behaviour of the sPS- solvent complexes formed by dichloromethane, chloroform, toluene, o-dichlorobenzene, decalin (cis-trans) etc. and for these complexes the transition occur well above the T(g).

}, keywords = {Crystallization, glass transition, infrared spectroscopy, Syndiotactic polystyrene}, issn = {1022-1360}, doi = {10.1002/masy.200851315}, author = {Naidu, Sudhakar and Ramesh, N. C.} } @article { ISI:000256004800004, title = {Studies on the synthesis and unusual behavior of vinyl sulfone-modified hexenopyranosylthymines}, journal = {Carbohydrate Research}, volume = {343}, number = {7}, year = {2008}, month = {MAY}, pages = {1163-1170}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Although vinyl sulfone-modified- (VSM) pent-2-enofuranosyl nucleosides 2 and hex-2-enopyranosyl glycoside 4 are easily synthesized from the corresponding mesylated sulfones le and 3c, respectively, via an oxidation-mesylation-elimination route, the 3{\textquoteright}-C-sulfonyl-hex-2{\textquoteright}-enopyranosylthymine 11 is not obtained from 10 and a glycal derivative 12 is formed instead. On the other hand, 3-C-sulfonyl-hex-3{\textquoteright}-enopyranosylthymine 20 is easily synthesized from the mesylated sulfone 19. Again unlike the reaction patterns of VSM-pent-T-enofuranosyl nucleosides 2 and hex-2-enopyranosyl glycosides 4 as Michael acceptors, the reactions of nucleophiles with 3{\textquoteright}-C-sulfonyl-hex-3{\textquoteright}-enopyranosylthymine 20 yielded a rearranged product 21 instead of Michael adducts. (c) 2008 Published by Elsevier Ltd.

}, keywords = {glycal, hexopyranosyl nucleosides, Michael addition, unsaturated nucleosides, vinyl sulfone-modified nucleosides}, issn = {0008-6215}, doi = {10.1016/j.carres.2008.02.016}, author = {Deshpande, Sachin G. and Suresh, Cheravakkattu G. and Pathak, Tanmaya} } @proceedings {43362, title = {Studies on ZnO based diluted magnetic semiconductors}, volume = {3}, year = {2008}, month = {MAR}, pages = {373-378}, publisher = {Minerals, Metals \& Materials Soc, 184 Thorn Hill Rd, Warrendale, PA 15086-7514 USA}, address = {New Orleans, LA}, abstract = {

The observation of ferromagnetism in the transition metal (TM) doped wide band gap nonmagnetic semiconductor ZnO opened up a new area of research because of the potential applications in spintronics devices. These ZnO based diluted magnetic semiconductors (DMS) combine their transport and optical properties with magnetism. We have carried out synthesis and studies on the magnetic and optical properties on TM doped ZnO powders in nanocrystalline form. Our studies give evidence for the origin of ferromagnetism as extrinsic due to the presence of metal nanoclusters as secondary phases in the Co and Ni doped ZnO systems although the optical and electronic structure studies indicate the incorporation of divalent metal ions inside the ZnO crystal lattice.

}, author = {Deka, Sasanka and Joy, P. A.} } @article { ISI:000252354300005, title = {Study of a laboratory-scale froth flotation process using artificial neural networks}, journal = {Mineral Processing and Extractive Metallurgy Review}, volume = {29}, number = {2}, year = {2008}, month = {DEC}, pages = {130-142}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A three-layer feed-forward artificial neural network (ANN) model, trained using the error back propagation algorithm, has been established to simulate the froth flotation process for the beneficiation of coal fines. The network model validates the experimentally observed qualitative and quantitative trends. The optimal model parameters in terms of network weights have been estimated and can be used to compute the parameters of the coal flotation process over wide-ranging experimental conditions.

}, keywords = {back propagation algorithm, froth flotation, laboratory-scale, neural network}, issn = {0882-7508}, doi = {10.1080/08827500701421912}, author = {Kalyani, V. K. and Pallavika and Chaudhuri, Sanjay and Charan, T. Gouri and Haldar, D. D. and Kamal, K. P. and Badhe, Yogesh P. and Tambe, S. S. and Kulkarni, B. D.} } @article { ISI:000252926700002, title = {Study of papain-cystatin interaction by intensity fading MALDI-TOF-MS}, journal = {Protein Journal}, volume = {27}, number = {1}, year = {2008}, month = {JAN}, pages = {7-12}, publisher = {SPRINGER}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

Intensity fading (IF) matrix assisted laser desorption ionization (MALDI) time of flight (TOF) mass spectrometry (MS ) has become an alternative screening approach for the affinity-binding analysis of proteins and peptides with molecular ligands. In this investigation an attempt has been made to study the protein ligand interaction by intensity fading (IF) MALDI-MS using papain and cystatin as model system for protein-ligand interactions. The intensity fading of cystatin was monitored using various concentration of cystatin ranging from (1 to 8.6 mu M) in presence of target protein, papain. The results indeed indicate that the intensity of cystatin decreases upon addition of papain. Furthermore, for the first time we have used IF-MALDI-MS for determining the number of binding sites for cystatin on papain by Scatchard analysis.

}, keywords = {intensity fading, MALDI, papain-cystatin, protein-ligand interaction, Scatchard plot}, issn = {1572-3887}, doi = {10.1007/s10930-007-9102-3}, author = {Shabab, M. and Kulkarni, Mahesh J. and Khan, Mohammad Islam} } @article { ISI:000256183700006, title = {Sulfamic acid: an efficient and cost-effective solid acid catalyst for the synthesis of alpha-aminophosphonates at ambient temperature}, journal = {Catalysis Communications}, volume = {9}, number = {9}, year = {2008}, month = {MAY}, pages = {1822-1826}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Sulfamic acid catalyzed solvent-free protocol has been developed for the synthesis of alpha-aminophosphonates by three component condensation between aldehydes, amines and diethyl phosphite at ambient temperature. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {alpha-Aminophosphonates, diethylphosphite (DEP), solid acid catalyst, Solvent-free, sulfamic acid (SA)}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.02.011}, author = {Mitragotri, Satish D. and Pore, D. M. and Desai, Uday V. and Wadgaonkar, P. P.} } @article { ISI:000257381600004, title = {Sulfur nanoparticles synthesis and characterization from H2S gas, using novel biodegradable iron chelates in w/o microemulsion}, journal = {Nanoscale Research Letters}, volume = {3}, number = {6}, year = {2008}, month = {JUN}, pages = {221-229}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Sulfur nanoparticles were synthesized from hazardous H2S gas using novel biodegradable iron chelates in w/o microemulsion system. Fe3+-malic acid chelate (0.05 M aqueous solution) was studied in w/o microemulsion containing cyclohexane, Triton X-100 and n-hexanol as oil phase, surfactant, co-surfactant, respectively, for catalytic oxidation of H2S gas at ambient conditions of temperature, pressure, and neutral pH. The structural features of sulfur nanoparticles have been characterized by X-ray diffraction (XRD), transmission electron microscope (TEM), energy dispersive spectroscopy (EDS), diffused reflectance infra-red Fourier transform technique, and BET surface area measurements. XRD analysis indicates the presence of alpha-sulfur. TEM analysis shows that the morphology of sulfur nanoparticles synthesized in w/o microemulsion system is nearly uniform in size (average particle size 10 nm) and narrow particle size distribution (in range of 5-15 nm) as compared to that in aqueous surfactant systems. The EDS analysis indicated high purity of sulfur (\> 99\%). Moreover, sulfur nanoparticles synthesized in w/o microemulsion system exhibit higher antimicrobial activity (against bacteria, yeast, and fungi) than that of colloidal sulfur.

}, keywords = {Antimicrobial activity, H2S gas, iron chelates, sulfur nanoparticles, w/o microemulsion}, issn = {1931-7573}, doi = {10.1007/s11671-008-9140-6}, author = {Deshpande, Aniruddha S. and Khomane, Ramdas B. and Vaidya, Bhalchandra K. and Joshi, Renuka M. and Harle, Arti S. and Kulkarni, Bhaskar D.} } @article { ISI:000260776800023, title = {Superparamagnetic nanocrystalline ZnFe2O4 with a very high curie temperature}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {8}, year = {2008}, month = {AUG}, pages = {3955-3958}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Studies on the magnetic properties of nanocrystalline ZnFe2O4 synthesized by an autocombustion method are reported. Superparamagnetic behavior is observed for the nanocrystalline materials with particle sizes of 8 nm and 17 nm, with superparamagnetic blocking temperatures of 65 K and 75 K, respectively. Magnetic hysteresis with very large coercivities of 533 Oe and 325 Oe, respectively, are observed at 12 K. Studies on the temperature variation of the magnetization above room temperature indicate that the Curie temperature is as high as similar to 800 K when compared to the paramagnetic nature of bulk zinc ferrite at room temperature.

}, keywords = {Curie temperature, Nanocrystalline, Superparamagnetism, Zinc Ferrite}, issn = {1533-4880}, doi = {10.1166/jnn.2008.201}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000261546900021, title = {Suzuki cross-coupling and intramolecular aza-michael addition reaction sequence towards the synthesis of 1,10b-epi-7-deoxypancratistatins and their cytotoxicity studies}, journal = {European Journal of Organic Chemistry}, number = {34}, year = {2008}, month = {DEC}, pages = {5839-5847}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

The development of an efficient approach to the construction of a phenanthridone is described. The convergent strategy commences with the preparation of Suzuki cross-coupling reaction precursors, arylboronic acid 12 and a-iodo enone 14, from piperonylamine (9) and (-)-D-quinic acid (10), respectively. The coupling of 12 and 19 followed by a key intramolecular aza-Michael addition produced phenanthridone 21 featuring a cis-fused B-C ring junction. The syntheses of compounds 25 and 26, both of which are C-1 and C-10b epimers of the naturally occurring potent antitumor agent 7-deoxypancratistatin (2), from 21 are elaborated in detail in this paper. The cytotoxicities of 25 and 26 were evaluated against three different cancer cell lines. Compound 26 served as a moderate growth inhibitor of THP-1 monocytic cells (GI(50) = 14.5 mu g/mL). ((C) Wiley-VCH Verlag GmbH \& Co. KGaA, 69451 Weinheim, Germany, 2008)

}, keywords = {antitumor agents, Chiral pool, Cross-coupling, Intramolecular aza-Michael addition, Pancratistatin}, issn = {1434-193X}, doi = {10.1002/ejoc.200800830}, author = {Pandey, Ganesh and Balakrishnan, Madhesan and Swaroop, Pandrangi Siva} } @article { ISI:000259973900047, title = {Suzuki cross-coupling/reductive debenzyloxycarbonylation sequence for the syntheses of [c]annulated isoquinolines: application for the syntheses of pancratistatin-like isoquinolines}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {20}, year = {2008}, month = {OCT}, pages = {8128-8131}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A two-step strategy involving Suzuki cross-coupling of boronic acids with a diverse array of alpha-iodoenones followed by hydrogenation is developed for the construction of [c]annulated isoquinolines. This mild and efficient procedure is also applied to the synthesis of highly oxygenated isoquinolines.

}, issn = {0022-3263}, doi = {10.1021/jo801761f}, author = {Pandey, Ganesh and Balakrishnan, Madhesan} } @article { ISI:000261281100001, title = {SVR-based prediction of point gas hold-up for bubble column reactor through recurrence quantification analysis of LDA time-series}, journal = {International Journal of Multiphase Flow}, volume = {34}, number = {12}, year = {2008}, month = {DEC}, pages = {1099-1107}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Recurrence quantification analysis (RQA) has emerged as a useful tool for detecting singularities in nonstationary time-series data. In this paper, we use RQA to analyze the velocity-time data acquired using laser doppler anemometry (LDA) signals in a bubble column reactor for Single point and Multipoint point spargers. The recurring dynamical states within the velocity-time-series occurring due to the bubble and the liquid passage at the point of measurement, are quantified by RQA features (namely \% Recurrence, \% Determinism, \% Laminarity and Entropy), which in turn are regressed using support vector regression (SVR) to predict the point gas hold-up values. It has been shown that SVR-based model for the bubble column reactor can be potentially useful for online prediction and monitoring of the point gas hold-up for different sparging conditions. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Bubble column, Gas hold-up, LDA, Recurrence quantification analysis (RQA), Support vector regression (SVR)}, issn = {0301-9322}, doi = {10.1016/j.ijmultiphaseflow.2008.07.001}, author = {Gandhi, Ankit B. and Joshi, J. B. and Kulkarni, A. A. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article { ISI:000254180300055, title = {Synthesis and antimicrobial activity of beta-lactam-bile acid conjugates linked via triazole}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {18}, number = {6}, year = {2008}, month = {MAR}, pages = {2043-2047}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Synthesis of novel 1,2,3-triazole-linked beta-lactam-bile acid conjugates 17-24 using 1,3-dipolar cycloaddition reaction of azido beta-lactam and terminal alkyne of bile acids in the presence of Cu( I) catalyst ( click chemistry) have been realized. These molecules were evaluated in vitro for their antifungal and antibacterial activities. Most of the compounds exhibited significant antifungal and moderate antibacterial activity against all the tested strains. (c) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.01.102}, author = {Vatmurge, Namdev S. and Hazra, Braja G. and Pore, Vandana S. and Shirazi, Fazal and Chavan, Pradnya S. and Deshpande, Mukund V.} } @article { ISI:000260429100023, title = {Synthesis and biological evaluation of bile acid dimers linked with 1,2,3-triazole and bis-beta-lactam}, journal = {Organic \& Biomolecular Chemistry}, volume = {6}, number = {20}, year = {2008}, month = {OCT}, pages = {3823-3830}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report herein the synthesis and biological evaluation of bile acid dimers 11-18 linked through 1,2,3-triazole and bis-beta-lactam. The dimers 11-18 were synthesized using 1,3-dipolar cycloaddition reaction of diazido bis-beta-lactams 3, 4 and terminal alkynes 7-10 derived from cholic acid/deoxycholic acid in the presence of Cu(I) catalyst (click chemistry). These novel molecules were evaluated in vitro for their antifungal and antibacterial activity. Most of the compounds exhibited significant antifungal as well as antibacterial activity against all the tested fungal and bacterial strains. Moreover, their in vitro cytotoxicities towards HEK-293 and MCF-7 cells were also established.

}, issn = {1477-0520}, doi = {10.1039/b809221d}, author = {Vatmurge, Namdev S. and Hazra, Braja G. and Pore, Vandana S. and Shirazi, Fazal and Deshpande, Mukund V. and Kadreppa, Sreenath and Chattopadhyay, Samit and Gonnade, Rajesh G.} } @article { ISI:000262183900001, title = {Synthesis and characterization of high surface area CeO2-doped SnO2 nanomaterial}, journal = {Materials Chemistry and Physics}, volume = {112}, number = {3}, year = {2008}, month = {DEC}, pages = {719-722}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

In the present investigation the synthesis and characterization of high surface area CeO2-doped SnO2 nanomaterial has been reported. The material was synthesized by coprecipitation process combined with surfactant incorporating method. The concentration level of Ce (III) additive was varied systematically from 1 to 11 wt.\%. After calcinations at500 degrees C,a high BET surface area of 40 m(2)/g was obtained for 7 wt.\% CeO2. The effect of variation of sintering temperature (600-800 degrees C/2h) on the particle size and surface area of a CeO2/SnO2 system was investigated. The material obtained was nanocrystalline, having particle size in the range of 10-16 nm. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {CeO2:SnO2, Nanomaterials, sensors}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2008.06.022}, author = {Gambhire, A. B. and Lande, Machhindra K. and Kalokhe, S. B. and Shirsat, M. D. and Patil, K. R. and Gholap, Ramkrishna S. and Arbad, B. R.} } @article { ISI:000253740900005, title = {Synthesis and characterization of novel organo-montmorillonites}, journal = {Applied Clay Science}, volume = {38}, number = {3-4}, year = {2008}, month = {FEB}, pages = {203-208}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Sodium Montmorillonite (NaMMT) has been modified via cation exchange reaction using three different organic cations. Basal spacings, interlamellar structure and thermal stability of these organo-montmorillonites (OMMT) clays have been characterized using wide angle X-ray diffraction (WARD) and thermogravimetric analysis (TGA) techniques. Increase in the basal spacing due to organic modification is in good agreement with simple theoretical calculations based on van der Waals volume of the cationic ammonium ions. TGA characterization and analysis show that the amount of organic modifier in the OMMT{\textquoteright}s is in good agreement with theoretically calculated stoichiometric content expected for almost complete exchange of Na+ ions by organic cations. The OMMT{\textquoteright}s shows stepwise decomposition corresponding to initial weight loss from residual water desorption, followed by decomposition of the organic surfactant and the dehydroxylation of structural water of the montmorillonite layers. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Montmorillonite, organo-clays, organo-montmorillonite, surfactant}, issn = {0169-1317}, doi = {10.1016/j.clay.2007.05.008}, author = {Tiwari, Rajkiran R. and Khilar, Kartic C. and Natarajan, Upendra} } @article { ISI:000258981000008, title = {Synthesis and characterization of novel polybenzimidazoles bearing pendant phenoxyamine groups}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {46}, number = {17}, year = {2008}, month = {SEP}, pages = {5776-5793}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A novel aromatic diacid, 3, 5-dicarboxyl-4{\textquoteright}-amino diphenyl ether, containing pendant phenoxy amine group was synthesized. Homo- and co-polybenzimidazoles containing different content of pendant phenoxyamine groups were synthesized by condensation of 3,3{\textquoteright}-diaminobenzidine with this acid and a mixture of this acid and isophthalic acid in different ratio in polyphosphoric acid. Copolybenzimidazoles with structural variations were also synthesized based on this acid and pyridine dicarboxylic acid, terephthalic acid, adipic acid, or sebacic acid. The polymers have good solubility in polar aprotic solvents and strong acids and they form tough flexible films by solution casting. The polymers were characterized by different instrumental techniques (FTIR, TGA, DSC, XRD, etc.) and for solvent solubility, mechanical properties, inherent viscosity, and proton conductivity. The inherent viscosities of the polymers vary in the range of 0.62-1.52 dL/g. They have high thermal stability up to 475506 degrees C (IDT) in nitrogen, high glass transition temperatures (T-g) ranging from 313 to 435 degrees C and good tensile strength ranging from 58 to 125 MPa. Proton conductivity of homo polymer is 3.72 x 10(-3) S/cm at 25 degrees C and 2.45 x 10(-2) S/cm at 200 degrees C (c) 2008 Wiley Periodicals, Inc.

}, keywords = {Characterization, copolybenzimidazoles, High performance polymers, high temperature materials, pendant phenoxyamine group, polybenzimidazoles, synthesis}, issn = {0887-624X}, doi = {10.1002/pola.22892}, author = {Kulkarni, Mahesh and Potrekar, Ravindra and Kulkarni, R. A. and Vernekar, S. P.} } @article { ISI:000258026000010, title = {Synthesis and characterizations of NiTiO(3) nanoparticles prepared by the sol-gel process}, journal = {Philosophical Magazine Letters}, volume = {88}, number = {6}, year = {2008}, month = {MAR}, pages = {467-472}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Nanocrystalline nickel titanate (NiTiO(3)) composite powders were prepared by the sol-gel process combined with a surfactant-assisted template method. The resulting powders were calcined at different temperatures ranging from 150 degrees C to 750 degrees C for 2 h in air. The results revealed that a pure hexagonal phase of NiTiO(3) could be obtained at the low temperature of 750 degrees C. The phase evolution of NiTiO(3) was investigated by X-ray diffraction patterns, Fourier-transform infrared spectroscopy, and X-ray photoelectron spectroscopy. Particle size and morphology were studied by transmission electron microscopy.

}, keywords = {Nanoparticles, nickel titanate, sol-gel process}, issn = {0950-0839}, doi = {10.1080/09500830802199709}, author = {Gambhire, A. B. and Lande, Machhindra K. and Kalokhe, S. B. and Mandale, A. B. and Patil, K. R. and Gholap, Ramkrishna S. and Arbad, B. R.} } @article { ISI:000254367800011, title = {Synthesis and corrosion protection study of poly(o-ethylaniline) coatings on copper}, journal = {Surface \& Coatings Technology}, volume = {202}, number = {12}, year = {2008}, month = {MAR}, pages = {2591-2602}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Poly(o-ethylaniline) coatings were synthesized on copper (Cu) by electrochemical polymerization of o-ethylaniline in an aqueous salicylate solution by using cyclic voltammetry. The characterization of these coatings was carried out by cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). The results of these characterizations indicate that the aqueous salicylate solution is a suitable medium for the electrochemical polymerization of o-ethylaniline to generate strongly adherent and smooth poly(o-ethylaniline) coatings on Cu substrates. The performance of poly(o-ethylaniline) as protective coating against corrosion of Cu in aqueous 3\% NaCl was assessed by the potentiodynamic polarization technique and electrochemical impedance spectroscopy (EIS). The results of these studies demonstrate that the poly(o-ethylaniline) coating has ability to protect the Cu against corrosion. The corrosion potential was about 0.078 V versus SCE more positive in aqueous 3\% NaCl for the poly(o-ethylanitine) coated Cu (similar to 15 mu m thick) than that of uncoated Cu and reduces the corrosion rate of Cu almost by a factor of 70. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {conducting polymers, Copper, Corrosion resistant coatings, cyclic voltammetry, Electrochemical polymerization, poly(o-ethylaniline) coatings}, issn = {0257-8972}, doi = {10.1016/j.surfcoat.2007.09.025}, author = {Shinde, Vandana and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000257442900006, title = {Synthesis and FTIR spectroscopic investigation of the UV curing kinetics of telechelic urethane methacrylate crosslinkers based on the renewable resource-cardanol}, journal = {Journal of Applied Polymer Science}, volume = {109}, number = {5}, year = {2008}, month = {SEP}, pages = {2781-2790}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

UV curable telechelic urethane-methacrylate crosslinkers based on the natural resource-cardanol was synthesized in a one pot synthetic step involving end capping of isophorone diisocyanate with one equivalent of hydroxyethyl methacrylate followed by condensation with cardanol. The structures of the resins were characterized by H-1 and C-13 NMR, fourier transform infrared (FTIR) and Matrix-assisted laser desorption/ionization time of flight (MALDI-TOF) spectroscopies and size exclusion chromatography (SEC). The curing process and double bond conversion in presence of 2,2-diethoxy acetophenone as photo-initiator upon UV irradiation was followed by Fourier transform infrared spectroscopy. These hydrogen bonded crosslinkers based on cardanol and its derivatives had higher double bond conversion when compared to a nonhydrogen bonding standard such as hexanediol diacrylate (HDDA) under identical conditions. The temperature effects on the hydrogen bonding were investigated, and a decrease in the extent of double bond conversion with increase in temperature was observed for the telechelic urethane-methacrylate crosslinkers whereas a steady increase in the curing rate was observed for HDDA. This gives direct indication of the influence of hydrogen bonding on the curing process. (C) 2008 Wiley Periodicals, Inc.

}, keywords = {Cardanol, hydrogen bonding, infrared spectroscopy, renewable resource, UV curing}, issn = {0021-8995}, doi = {10.1002/app.28342}, author = {Rekha, N. and Asha, S. K.} } @article { ISI:000254416300052, title = {Synthesis and magnetic properties of barium-calcium hexaferrite particles prepared by sol-gel and microemulsion techniques}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {320}, number = {6}, year = {2008}, month = {MAR}, pages = {1095-1101}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The preparation of W-type hexaferrite particles with the composition BaCa2Fe16O27 by microemulsion and a stearic acid sol - gel method with and without surfactant has been investigated at various sintering temperatures. The structural and magnetic characteristics have been studied by X-ray diffraction ( XRD), a vibrating sample magnetometer ( VSM), scanning electron microscopy ( SEM), thermogravimetric analysis ( TGA), differential scanning calorimetric ( DSC) and Fourier transform infrared ( FTIR) techniques. The effect of sintering temperature on the properties of BaCa2Fe16O27 hexaferrites has been studied. The value of saturation magnetization ( M-s) depends on types of surfactant used. The sample prepared in the presence of polyoxyethylene ( 20) sorbitan monooleat ( Tween 80) shows low saturation magnetization ( M-s 15.10 emu/g), whereas the other sample prepared in the presence of a surfactant cetyltrimethylammonium bromide (CTAB) exhibits high saturation magnetization (M-s = 24.60 emu/g) compared to the normal sample. (C) 2007 Elsevier B. V. All rights reserved.

}, keywords = {BaCa2Fe16O27, hexaferrite, magnetic property, Microemulsion, Sol-gel method, surfactant}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2007.10.032}, author = {Jotania, R. B. and Khomane, Ramdas B. and Chauhan, C. C. and Menon, Shamal K. and Kulkarni, B. D.} } @article { ISI:000260062900021, title = {Synthesis and self-assembling properties of alpha,omega-hydroxy-poly(ethylene oxide) end-capped with 1-isocyanato-3-pentadecylcyclohexane}, journal = {Polymer}, volume = {49}, number = {21}, year = {2008}, month = {OCT}, pages = {4635-4646}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A novel hydrophobic compound, 1-isocyanato-3-pentadecylcyclohexane (PDC) issued from a renewable resource material (Cashew Nut Shell Liquid), is used to end-cap poly(ethylene oxide) (PEO) of different molecular weights. The synthesis, characterization and self-assembling properties of these new associating polymers are reported. In aqueous solution, PDC modified PEOs self-associate into micellar structures which are characterized by neutron scattering. Using a star-polymer model with sticky hard sphere interactions, it is shown that the characteristics of the micelles mainly depend on the size of the PEO chain. In the case of PDC stickers, the aggregation number decreases from 25 to 17 with increasing molecular weight of PEO, from 10 to 20 kg/mol, respectively. The temperature directly impacts the interaction potential between the hydrophilic coronas of PEO which become less repulsive with increasing temperature. Rheological measurements, performed in dilute solution, clearly demonstrate that PEO micelles self-associate into open supramolecular structures. The correlation length of these loose clusters increases with polymer concentration and the hierarchical self-assembly follows the rules of the percolation theory. The sol/gel transition takes place at the overlap concentration of clusters. In semi-dilute solution, the viscoelastic properties of PDC end-capped PEOs are well described by the Maxwell model with a single relaxation mode. The characteristic time of the network follows an Arrhenius temperature dependence with an activation energy of 70 kJ/mol, in very good agreement with the size of PDC stickers. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Associating polymer, Hydrophobically end-capped, poly(ethylene oxide), Star micelles}, issn = {0032-3861}, doi = {10.1016/j.polymer.2008.07.064}, author = {Kadam, Vijay S. and Badiger, Manohar V. and Wadgaonkar, Prakash P. and Ducouret, Guylaine and Hourdet, Dominique} } @article { ISI:000259684000003, title = {Synthesis and spectral studies of nitrogen-oxygen donor macrocyclic metal complexes of Mn(II), Cu(II) Zn(II), Pd(II) and Pt(II)}, journal = {Journal of the Indian Chemical Society}, volume = {85}, number = {9}, year = {2008}, month = {SEP}, pages = {896-900}, publisher = {SCIENTIFIC PUBL-INDIA}, type = {Article}, address = {5-A, NEW PALI RD, PO BOX 91, NEAR HOTEL TAJ HARI MAHAL, JODHPUR, 342 003, INDIA}, abstract = {

The complexes of Mn(II), Cu(II), Zn(II), Pd(II) and Pt(II) with a nitrogen-oxygen donor macrocyclic ligand, viz. 5,6,13,14-dibenzo[1,4,8,11]dioxadiaza-5,7,11,13-cyclotetradecin have been synthesized and characterized by elemental analysis, molar conductance, magnetic susceptibility measurements, spectral and electrochemical studies. The molar conductance measurements of the complexes in DMF solution correspond to non electrolytic nature for M(L)X(2) complexes and 1 : 2 electrolytes for M {\textquoteleft}(L)X(2) Complexes [where M = Mn(II), Cu(II); M {\textquoteleft} = Zn(II), Pd(II) and Pt(II); X = Cl(-), NO(3)(-), and L = ligand]. Thus, the complexes may be formulated as [M(L)X(2)] and [M {\textquoteleft}(L)]X(2) respectively. Mn(II), Cu(II) complexes were of the high-spin type whereas the complexes of Zn(II), Pd(II) and Pt(II) were diamagnetic. On the basis of spectral studies an octahedral geometry has been assigned for Mull, tetragonal for Cull, tetrahedral for Zn(II) complexes whereas square planar for Pd(II) and Pt(II) complexes.

}, keywords = {Cu(II), macrocyclic, Mu(II), Pd(II), Pt(II), Zn(II)}, issn = {0019-4522}, author = {Chandra, Sulekh and Verma, Shweta and Meera, P.} } @article { ISI:000261329400004, title = {Synthesis, characterization and catalytic activity of Sn-SBA-15 mesoporous molecular sieves}, journal = {Catalysis Surveys from Asia}, volume = {12}, number = {4}, year = {2008}, month = {DEC}, pages = {283-309}, publisher = {SPRINGER/PLENUM PUBLISHERS}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Our recent reports on the synthesis of Sn-incorporated mesoporous SBA-15 materials have been reviewed. The preparation of the samples with different Si/Sn ratios followed two procedures, the first is the post-synthesis modification of SBA-15 by impregnation with Sn chloride or acetate, and the second is the direct method in which Sn chloride was introduced in to Si precursor along with amphiphilic triblock copolymer, while varying the ratio of the synthesis gel. Detailed characterization of the Sn-SBA-15 samples by a variety of techniques shows how the synthesis procedures influence the properties of the samples that reflect on the differences in (a) the structural features, (b) morphology and textural properties, such as the pore characteristics, (c) the possible location of Sn4+ ions in the meso silica structure and their reducibility, (d) the nature of the Sn species and their the coordination sphere and (e) the acid-base characteristics. We developed a possible model for the localization of Sn species in SBA-15 pore structure for different conditions of preparation. This report includes our investigations on the catalytic properties of these Sn-SBA-15 samples in 3 industrially important reactions, viz., trans-esterification of diethyl malonate, synthesis of nopol by Prins condensation of beta-pinene with para-formaldehyde and the epoxidation of norbornene. In each of this reaction, while demonstrating the catalytic role of Sn species, we show that the requirement of the type and the environment of Sn species are different for these reactions.

}, keywords = {mesoporous materials, Properties of Sn-SBA-15, Sn-containing SBA-15, Sn-SBA-15 catalysts, Synthesis of Sn-SBA-15}, issn = {1571-1013}, doi = {10.1007/s10563-008-9060-6}, author = {Ramaswamy, Veda and Shah, Pallavi and Lazar, Karoly and Ramaswamy, A. V.} } @article { ISI:000255339200058, title = {Synthesis, characterization, and gas permeability of aromatic polyimides containing pendant phenoxy group}, journal = {Journal of Applied Polymer Science}, volume = {108}, number = {6}, year = {2008}, month = {JUN}, pages = {3881-3889}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A diamine containing a pendant phenoxy group, 1-phenoxy-2,4-diaminobenzene, was synthesized and condensed with different aromatic dianhydrides [4,4{\textquoteright}-oxydiphthalic dianhydride, 4,4{\textquoteright}-(hexafluoroisopropylidene)diphthalic anhydride, 3,3{\textquoteright},4,4-benzophenone tetracarboxylic dianhydride, 3,3{\textquoteright},4,4{\textquoteright}-biphenyltetracorboxylic dianhydride, and pyromellitic dianhydride] by one-step synthesis at a high temperature in m-cresol to obtain polyimides in high yields. Most of the polyimides exhibited good solvent solubility and could be readily dissolved in chloroform, sym-tetrachloroethane, N,N-dimethylformamide, NN-dimethylacetamide, and nitrobenzene. Their inherent viscosities were in the range of 0.33-1.16 dL/g. Wide-angle X-ray spectra revealed that these polymers were amorphous in nature. All these polyimides were thermally stable, having initial decomposition temperatures above 500 degrees C and glass-transition temperatures in the range of 248-281 degrees C. The gas permeability of 4,4{\textquoteright}-oxydiphthalic dianhydride and 4,4{\textquoteright}-(hexafluoroisopropylidene)diphthalic anhydride based polyimides was investigated with pure gases: He, H-2, O-2, Ar, N-2, CH4, and CO2. A polyimide containing a -C(CF3)(2)- linkage showed a good combination of permeability and selectivity. (C) 2008 Wiley Periodicals, Inc.

}, keywords = {Gas permeation, membranes, polyimides, selectivity, structure-property relations}, issn = {0021-8995}, doi = {10.1002/app.28074}, author = {Kothawade, Sandeep S. and Kulkarni, Mahesh P. and Kharul, Ulhas K. and Patil, Anandrao S. and Vernekar, Subhash P.} } @article { ISI:000253181000037, title = {Synthesis, characterization of chemically deposited indium selenide thin films at room temperature}, journal = {Journal of Physics and Chemistry of Solids}, volume = {69}, number = {1}, year = {2008}, month = {JAN}, pages = {249-254}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Polycrystalline In2Se3 semiconducting thin films were prepared by using relatively simple chemical bath deposition method at room temperature by the reaction between indium chloride, tartaric acid, hydrazine hydrate and sodium selenosulphate in an aqueous alkaline medium. Various preparative conditions of thin film deposition are outlined. The as grown films were found to be transparent, uniform, well adherent and red in color. The films were characterized using X-ray diffraction (XRD), scanning electron microscopy, atomic absorption spectroscopy and energy dispersive atomic X-ray diffraction (EDAX). The XRD analysis of the film showed the presence of polycrystalline nature with hexagonal crystal structure. SEM study revels that the grains are homogenous, without cracks or pinholes and well covers the glass substrate. The optical absorption and electrical conductivity was measured. The direct optical band gap value for the films was found to be of the order of 2.35eV at room temperature and have specific electrical conductivity of the order of 10(-2) (Omega cm)(-1) showing n-type conduction mechanism. The utility of the adapted technique is discussed from the view-point of applications considering the optoelectric and structural data. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Chemical synthesis, Semiconductor}, issn = {0022-3697}, doi = {10.1016/j.jpcs.2007.08.070}, author = {Asabe, M. R. and Chate, P. A. and Delekar, S. D. and Garadkar, K. M. and Mulla, Imtiaz S. and Hankare, P. P.} } @article { ISI:000253014900018, title = {Synthesis of 1,2,3-triazole and 1,2,3,4-tetrazole-fused glycosides and nucleosides by an intramolecular 1,3-dipolar cycloaddition reaction}, journal = {Organic \& Biomolecular Chemistry}, volume = {6}, number = {4}, year = {2008}, month = {JAN}, pages = {779-786}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Various 1,2,3-triazole and 1,2,3,4-tetrazole fused multi-cyclic compounds were synthesized from carbohydrate derived azido-alkyne and azido-cyanide substrates. The acid sensitive 1,2-O-isopropylidene group of the furanosyl sugar was utilized for diversification to glycosides and nucleosides under Fischer glycosidation and Vorbruggen{\textquoteright}s conditions, respectively.

}, issn = {1477-0520}, doi = {10.1039/b716996e}, author = {Anegundi, Ramakrishna I. and Puranik, Vedavati G. and Hotha, Srinivas} } @article { ISI:000257619700016, title = {Synthesis of (3S,4R)-4-benzylamino-3-methoxypiperidine, an important intermediate for (3S,4R)-Cisapride}, journal = {Tetrahedron}, volume = {64}, number = {30-31}, year = {2008}, month = {JUL}, pages = {7191-7198}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of (3S,4R)-4-benzylamino-3-methoxypiperidine, an useful intermediate for the chiral synthesis of important drug molecule Cisapride and its analogs, from enantiopure 4-formylazetidin-2-one is described. Synthesis of trans as well as cis isomers of 4-amino-3-methoxypiperidine from 4-formylazetidin-2-one is also achieved in good yield. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {4-aminopiperidine, azetidin-2-ones, Cisapride, Staudinger reaction, stereoselective synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.05.090}, author = {Shirode, Nilesh M. and Likhite, Anjali P. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000259412500023, title = {Synthesis of alpha-amino phosphonates by three component condensation of carbonyl compound, amine, and dialkyl phosphite using Yttria-zirconia based Lewis acid catalyst}, journal = {Catalysis Letters}, volume = {125}, number = {3-4}, year = {2008}, month = {OCT}, pages = {315-319}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

An efficient Yttria-zirconia Lewis acid catalyzed one-pot synthesis of alpha-amino phosphonates by three component coupling reaction of a carbonyl compound amine and dialkyl phosphates is described in good to high yield.

}, keywords = {alpha-amino phosphonates, three component coupling, Yttria-zirconia based Lewis acid catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-008-9562-x}, author = {Ramalingam, S. and Kumar, Pradeep} } @article { ISI:000254135200020, title = {Synthesis of amphiphilic poly(methyl methacrylate-b-ethylene oxide) copolymers from monohydroxy telechelic poly(methyl methacrylate) as macroinitiator}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {46}, number = {6}, year = {2008}, month = {MAR}, pages = {2132-2144}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The synthesis of well-defined poly(methyl methacrylate)-block-poly(ethylene oxide) (PMMA-b-PEO) dibock copolymer through anionic polymerization using monohydroxy telechelic PMMA as macroinitiator is described. Living anionic polymerization of methyl methacrylate was performed using initiators derived from the adduct of diphenylethylene and a suitable alkyllithium, either of which contains a hydroxyl group protected with tert-butyldimethylsilyl moiety in tetrahydrofuran (THF) at -78 degrees C in the presence of LiClO4. The synthesized telechelic PMMAs had good control of molecular weight with narrow molecular weight distribution (MWD). The H-1 NMR and MALDI-TOF MS analysis confirmed quantitative functionalization of chain-ends. Block copolymerization of ethylene oxide was carried out using the terminal hydroxyl group of PMMA as initiator in the presence of potassium counter ion in THF at 35 degrees C. The PMMA-b-PEO diblock copolymers had moderate control of molecular weight with narrow MWD. The H-1 NMR results confirm the absence of trans-esterification reaction of propagating PEO anions onto the ester pendants of PMMA. The micellation behavior of PMMA-b-PEO diblock copolymer was examined in water using H-1 NMR and dynamic light scattering. (C) 2008 Wiley Periodicals, Inc.

}, keywords = {Anionic polymerization, block copolymers, synthesis}, issn = {0887-624X}, doi = {10.1002/pola.22548}, author = {Dhara, Mahua Ganguly and Baskaran, Durairaj and Sivaram, Swaminathan} } @article { ISI:000253450900027, title = {Synthesis of biodiesel over zirconia-supported isopoly and heteropoly tungstate catalysts}, journal = {Catalysis Communications}, volume = {9}, number = {5}, year = {2008}, month = {MAR}, pages = {696-702}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The liquid-phase synthesis of biodiesel by transesterification of sunflower oil with methanol is carried out by using zirconia-supported isopoly and heteropoly tungstates (HPAs) as catalysts. The isopoly and heteropoly tungstate catalysts were prepared by suspending zirconium oxyhydroxide in water/methanol solution of ammonium metatungstate/silicotungstic acid, phosphotungstic acid (WO3/HPA loading, 15\%,,) followed by drying and calcination at 750 degrees C. The catalysts were characterized by XRD, Raman spectroscopy, IR spectroscopy, NH3-TPD and FTIR pyridine adsorption spectroscopy. XRD results indicate that the presence of isopoly and heteropoly tungstates stabilizes ZrO2 in tetragonal phase. Raman and IR spectra of the catalysts show that tungstate species exist as zirconia-anchored octahedral mono-oxotungstate. The acidity measurements by NH3-TPD and FTIR pyridine adsorption spectroscopy show that zirconia-supported phosphotungstate has the highest total acidity and zirconia-supported isopoly tungstate has the highest Bronsted acidity. The zirconia-supported isopoly tungstate shows superior catalytic performance compared to zirconia-supported heteropoly tungstate catalysts. Under the reaction conditions of 200 degrees C and methanol/oil molar ratio 15, 15\% WO3/ZrO2 calcined at 750 degrees C gave 97\% conversion of oil. This catalyst also efficiently catalyzes methanolysis of other vegetable oils like mustard oil and sesame oil. The deactivated catalyst could be regenerated by calcination without appreciable loss in activity. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Biodiesel, phosphotungstic acids, Silicotungstic acid, transesterification, tungsten oxide, Zirconia}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.08.007}, author = {Sunita, G. and Devassy, Biju M. and Vinu, Ajayan and Sawant, Dhanashri P. and Balasubramanian, Veerappan V. and Halligudi, Shivappa B.} } @article { ISI:000254222400007, title = {Synthesis of bismuth titanate (Bi4Ti3O12)powders via calcination of microwave-hydrothermally (MH) derived precursor}, journal = {Indian Journal of Engineering and Materials Sciences}, volume = {15}, number = {1}, year = {2008}, month = {FEB}, pages = {51-54}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Micrometer sized platelet-like particles of bismuth titanate (Bi4Ti3O12) ire prepared successfully by the calcination of a mixed-precursor in air. The mixed precursor is precipitated Under microwave-hydrothermal (MH) treatment via dissolution-recrystallization kinetics. The mixed precursor is precipitated in-situ by giving MH treatment (at 200 degrees C, 200 psi, and 30 min hold time) to the hydrolysed slurry containing Bi and Ti cations. The slurry was prepared by adding 20\% aqueous KOH precipitant solution to a well-mixed stoichiometric nitrate solution containing Bi and Ti cations. XRD results revealed that the as-dried precursor consisted of a homogenous mixture of non-crystalline particles of Bi2O3 and TiO2. The calcination of the as-dried precursor at 700 degrees C/2 h in air resulted ill the formation of micron sized platelet like single-phase Bi4Ti3O12 powders having orthorhombic structure.

}, keywords = {Bi4Ti3O12, MH processing, SEM, XRD}, issn = {0971-4588}, author = {Khollam, Y. B. and Deshpande, S. B. and Samuel, V. and Potdar, H. S.} } @article { ISI:000259972800039, title = {Synthesis of chimeric tetrapeptide-linked cholic acid derivatives: impending synergistic agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {18}, number = {20}, year = {2008}, month = {OCT}, pages = {5512-5517}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Tetrapeptides derived from glycine and beta-alanine were hooked at the C-3 beta position of the modified cholic acid to realize novel linear tetrapeptide-linked cholic acid derivatives. All the synthesized compounds were tested against a wide variety of microorganisms (Gram-negative bacteria, Gram-positive bacteria and fungi) and their cytotoxicity was evaluated against human embryonic kidney (HEK293) and human mammary adenocarcinoma (MCF-7) cell lines. While relatively inactive by themselves, these compounds interact synergistically with antibiotics such as fluconazole and erythromycin to inhibit growth of fungi and bacteria, respectively, at 1-24 mu g/mL. The synergistic effect shown by our novel compounds is due to their inherent amphiphilicity. The fractional inhibitory concentrations reported are comparable to those reported for Polymyxin B derivatives. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Antimicrobial activity, Cholic acid, Cytotoxicity, Synergism, Tetrapeptide}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.09.013}, author = {Bavikar, Sudhir N. and Salunke, Deepak B. and Hazra, Braja G. and Pore, Vandana S. and Dodd, Robert H. and Thierry, Josiane and Shirazi, Fazal and Deshpande, Mukund V. and Kadreppa, Sreenath and Chattopadhyay, Samit} } @article {Council of Scientific and Industrial Research (CSIR), title = {Synthesis of five and six membered aminocyclitols: stereoselective michael and henry reaction approach with D-glucose derived alpha,beta-unsaturated ester}, journal = {Tetrahedron}, volume = {64}, number = {40}, year = {2008}, month = {SEP}, pages = {9574-9580}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The stereoselective intermolecular Michael addition of nitromethane to D-glucose derived alpha,beta-unSaturated ester 7 afforded L-ido-configurated nitroester 8 as the only product that on reduction of the ester functionality, cleavage of 1,2-acetonide and the intramolecular Henry reaction afforded exclusively muco-nitroinositol 9. While reduction of the ester functionality in 8, deprotection of 1,2-acetonide, oxidative cleavage with NaIO(4) and the intrarnolecular Henry reaction afforded nitrocyclopentitol 13. Nitrocyclitols 9 and 13 were converted to the hydroxyethyl substituted aminocyclohexitol 5 and aminocyclopentitol 6, respectively. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {aminocyclitols, carbohydrates, Henry reaction, Michael addition, nitroinositol}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.07.049}, author = {Chakraborty, Chaitali and Vyavahare, Vinod P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000252640600002, title = {Synthesis of gymnoascolide A}, journal = {Synthesis-Stuttgart}, number = {1}, year = {2008}, month = {JAN}, pages = {26-28}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Recently isolated 4-benzyl-3-phenylfuran-2,5-dione and antifungal gymnoascolide A have been synthesized using the chemoselective S(N)2{\textquoteright} coupling of phenylmagnesium bromide with dimethyl 2-(bromomethyl)fumarate, chemoselective allylic substitution of bromide in 3-(bromomethyl)-4-phenylfuran-2,5-dione with phenylmagnesium bromide and regioselective N-Selectride-induced reduction of 3-benzyl-4-phenylfuran-2,5-dione as the key reactions.

}, keywords = {dimethyl (bromomethyl)fumarate, functionalized maleic anhydrides, gymnoascolide A, regioselective reduction, S(N)2 {\textquoteleft} Grignard coupling reaction}, issn = {0039-7881}, doi = {10.1055/s-2007-990901}, author = {Baag, Md. Merajuddin and N. P. Argade} } @article { ISI:000252408000048, title = {Synthesis of LSMO at low temperature by novel hydroxide precursor technique}, journal = {Materials Letters}, volume = {62}, number = {3}, year = {2008}, month = {FEB}, pages = {527-529}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel technique of mixing individual hydroxide is employed to prepare La0.65Sr0.35MnO3 (LSMO) at low temperature. Freshly prepared lanthanum and manganese hydroxides are mixed thoroughly with strontium hydroxide in stoichiometric ratio and heated at different temperatures ranging from 100 to 500 degrees C for 6 h. At 500 degrees C, formation of La0.65Sr0.35MnO3 was confirmed by the X-ray diffraction studies (XRD). This is the lowest temperature so far reported in the literature. The particle size and morphology were investigated by scanning electron microscopy (SEM). (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Ceramics, Electron microscopy, La0.65Sr0.35MnO3, Oxides, Precipitation, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.05.077}, author = {Gupta, U. N. and Muthurajan, H. and Kumar, H. H. and Rao, N. Koteswara and Gokhale, Suresh P. and Ravi, V.} } @article {42773, title = {Synthesis of multifunctional nanogels using a protected macromonomer approach}, journal = {Colloid and Polymer Science}, volume = {286}, year = {2008}, month = {AUG}, pages = {1061-1069}, type = {Article}, doi = {10.1007/s00396-008-1883-1}, author = {Singh, Neetu and Lyon, L. Andrew} } @article { ISI:000256231200018, title = {Synthesis of norpandamarilactonines, pandamarilactonines, and pandanamine}, journal = {Synthesis-Stuttgart}, number = {9}, year = {2008}, month = {MAY}, pages = {1455-1459}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A facile route to naturally occurring (+/-)-norpandamarilactonines A and B, (+/-)-pandamarilactonines A-D, and pandanamine has been described from 3-methylfuran-2(5H)-one, with a reductive intramolecular aza-Michael-type addition as the key step.

}, keywords = {3-methylfuran-2(5H)-one, condensation, intramolecular aza-Michael reaction, pandamarilactonines}, issn = {0039-7881}, doi = {10.1055/s-2008-1072534}, author = {Gogoi, Sanjib and N. P. Argade} } @article { ISI:000261907900005, title = {Synthesis of novel 2-alkyl substituted oleobenzimidazole derivatives using ethylene glycol as solvent}, journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie}, volume = {86}, number = {11}, year = {2008}, month = {NOV}, pages = {1030-1033}, publisher = {NATL RESEARCH COUNCIL CANADA-N R C RESEARCH PRESS}, address = {BUILDING M 55, OTTAWA, ON K1A 0R6, CANADA}, abstract = {

The objective of this research was to conduct constructive organic chemistry by using ethylene glycol as an efficient solvent and to achieve yields that were comparable to or better than those in other media. The reaction parameters, such as temperature (150-200 degrees C), density, and reaction time (6 h), have been systematically studied to understand whether ethylene glycol is as an efficient solvent and can have a positive effect on the chemistry with good yields. By tuning the parameters, the yields have been optimized to around 70\%-80\%. Thus, a new class of 2-alkyl substituted oleo-benzimidazole derivatives have been synthesized and characterized by FTIR, (1)H NMR, (13)C NMR, MS, and elemental analysis.

}, keywords = {ethylene glycol, oleo-benzimidazole derivatives, oleochemistry, unusual fatty acids}, issn = {0008-4042}, doi = {10.1139/V08-152}, author = {Hosamani, K. M. and Hiremath, V. B. and Keri, R. S. and Harisha, R. S. and Halligudi, Shivaraj B.} } @article { ISI:000256114400005, title = {Synthesis of oleic acid capped copper nano-particles via reduction of copper salt by SFS}, journal = {Materials Chemistry and Physics}, volume = {110}, number = {1}, year = {2008}, month = {JUL}, pages = {21-25}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Synthesis of oleic acid capped copper nano-particles has been carried out by use of sodium formaldehyde sulfoxylate (SFS) in aqueous medium. Nano-copper can be effectively coated with polyvinyl alcohol (PVA). Phase-pure nano-Cu can be obtained when water/acetone was used as aqueous medium. It is observed that the surface plasmon resonance (SPR) phenomena can be controlled during synthesis by the use of suitable reagent system, e.g. absorption band in presence of PVA can be blue shifted. As-prepared copper nano-particles were characterized by X-ray diffraction measurements (XRD), Scanning electron microscopy (SEM), energy dispersive analysis of X-rays (EDAX), thermo gravimetric analysis (TGA) and Fourier transform infra-red spectroscopy (FTIR). XRD analysis revealed broad pattern for fcc crystal structure of copper metal. The particle size by use of Scherrer{\textquoteright}s equation was calculated to be about 20 nm. TGA revealed similar to 10\% weight loss due to the presence of surfactant. FTIR spectroscopy confirmed the presence of oleic acid around the particles. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, electronic materials, metals, Nanostructure}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2008.01.013}, author = {Khanna, P. K. and Kale, Trupti S. and Shaikh, Mushtaq and Rao, N. Koteswar and Satyanarayana, C. V. V.} } @article { ISI:000252970800002, title = {Synthesis of platinum Y-junction nanostructures using hierarchically designed alumina templates and their enhanced electrocatalytic activity for fuel-cell applications}, journal = {Chemistry of Materials}, volume = {20}, number = {3}, year = {2008}, month = {FEB}, pages = {601-603}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0897-4756}, doi = {10.1021/cm702102b}, author = {Mahima, Subhramanyam and Kannan, Ramaiyan and Komath, Indulekha and Aslam, Mohammed and Pillai, Vijayarnohanan K.} } @article { ISI:000257424800017, title = {Synthesis of polyhydroxy piperidines and their analogues: a novel approach towards selective inhibitors of alpha-glucosidase}, journal = {Organic \& Biomolecular Chemistry}, volume = {6}, number = {14}, year = {2008}, month = {JAN}, pages = {2587-2595}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Various polyhydroxy piperidine azasugars have been synthesized from precursors 18a and 18b, obtained in both enantiomeric forms from D-ribose. Out of these polyhydroxy piperidine azasugars, 22, 39 and 20 were found to be potent as well as selective inhibitors of a-glucosidase with K(i) values ranging as low as 1.07 mu M, 16.4 mu M, and 88.2 mu M, respectively. Replacement of the hydroxy methylene moiety of 19 (K(i) 33\% at 1 mM) by an amino methylene moiety (32, K(i) 36.8 mu M) showed a remarkable increase in the activity (almost 30 times). Furthermore, increasing the lipophilicity of 33 by N-alkylation with a dodecyl group (36) showed a three-fold enhancement in the activity (K(i) 217 mu M to K(i) 72.3 mu M).

}, issn = {1477-0520}, doi = {10.1039/b804278k}, author = {Pandey, Ganesh and Bharadwaj, Kishor Chandra and Khan, Mohammad Islam and Shashidhara, K. S. and Puranik, Vedavati G.} } @article { ISI:000260095800003, title = {Synthesis of substituted styrenes and stilbenes mediated by palladium on zirconia}, journal = {Journal of Chemical Research-S}, number = {9}, year = {2008}, month = {SEP}, pages = {495-499}, publisher = {SCIENCE REVIEWS LTD}, type = {Article}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {

Palladium on zirconia has been found to be an effective catalyst for the synthesis of various substituted styrenes and stilbenes, including biologically active natural products, by reaction of aryl halides with olefins.

}, keywords = {heterogeneous catalyst, palladium on zirconia, stilbenes, styrenes}, issn = {0308-2342}, doi = {10.3184/030823408X340807}, author = {Borate, Hanumant B. and Dumbre, Deepa K. and Wakharkar, Radhika D. and Choudhary, Vasant R.} } @article { ISI:000255342400008, title = {Synthesis of the C14-C29 segment of amphidinolide U utilizing a tandem dihydroxylation-S(N)2 cyclization protocol}, journal = {Synlett}, number = {6}, year = {2008}, month = {APR}, pages = {837-840}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The synthesis of the C14-C29 subunit of amphidinolide U is described. The key steps include the trans-2,5-disubstituted tetrahydrofurans via a highly diastereoselective and high yielding tandem dihydroxylation-S(N)2 cyclization, Wittig reaction, and Nozaki-Hiyama-Kishi coupling reaction.

}, keywords = {amphidinolide U, Cytotoxic, Nozaki-Hiyama-Kishi coupling, tandem dihydroxylation-S(N)2 cyclization, Wittig reaction}, issn = {0936-5214}, doi = {10.1055/s-2008-1042931}, author = {Mohapatra, Debendra K. and Rahaman, Hasibur} } @article { ISI:000262196200011, title = {Synthesis of tryptanthrin and deoxyvasicinone by a regioselective lithiation-intramolecular electrophilic reaction approach}, journal = {Arkivoc}, year = {2008}, month = {JAN}, pages = {100-U9}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

An efficient synthesis of the 4(3H)-quinazolinone-based alkaloids, tryptanthrin and deoxyvasicinone has been achieved in good overall yields by using the strategy of regioselective lithiation-intramolecular electrophilic reaction as a key-step. Both the molecules have been synthesized in just two-steps from readily available starting materials.

}, keywords = {4(3H)-Quinazolinone heterocycles, deoxyvasicinone, lithiation-intramolecular electrophilic reaction, tryptanthrin}, issn = {1424-6376}, author = {Potewar, Taterao M. and Ingale, Sachin A. and Srinivasan, Kumar V.} } @article { ISI:000257533800025, title = {Synthesis, structure and reactivity of azosalophen complexes of palladium}, journal = {Polyhedron}, volume = {27}, number = {9-10}, year = {2008}, month = {JUN}, pages = {2209-2215}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The ligands 2-(arylazo)-1-N-salicylidene phenylamine, H(2)L(sal), (where H represents the dissociable protons upon complexation) afford stable orthopalladated complexes, [(L(sal))Pd], upon treatment with Na(2)[PdCl(4)]. The dinegative anionic (L(sal))(2-) ligands bind Pd(II) in a tetradentate (C, N, N, O) fashion with a distorted square planar geometry. The newly synthesized palladium complexes underwent oxygen insertion into the Pd-C bond with mCPBA (m-chloroperbenzoic acid) or TBHP (terbutylhydroperoxide)/[VO(acac)(2)] leading to the formation of stable azosalophen complexes of Pd(II) with the (O, N, N, O) coordination mode of the oxygenated ligand. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {2-(arylazo)-1-N-salicylidene phenylamine, azosalophen complex, orthopalladation, oxygen insertion}, issn = {0277-5387}, doi = {10.1016/j.poly.2008.03.028}, author = {Pattanayak, Poulami and Pratihar, Jahar Lal and Patra, Debprasad and Puranik, Vedavati G. and Chattopadhyay, Surajit} } @article { ISI:000267239200041, title = {Scolecite as an efficient heterogeneous catalyst for the synthesis of 2,4,5-triarylimidazoles}, journal = {Central European Journal of Chemistry}, volume = {7}, number = {3}, year = {2009}, month = {SEP}, pages = {550-554}, publisher = {VERSITA}, address = {9 DRUGA POPRZECNA ST, 04-604 WARSAW 41, POLAND}, abstract = {

Natural scolecite has been found as an effective catalyst for the one-pot synthesis of 2,4,5-triarylimidazole derivatives via a three component reaction using benzil or benzoin, aldehydes and ammonium acetate. This method provides several advantages such as being environmentally benign, reusable, possessing high yields with increased variations of the substituents in the product and preparative simplicity.

}, keywords = {2, 4, 5-Triarylimidazoles, heterogeneous catalyst, Three-component reaction}, issn = {1895-1066}, doi = {10.2478/s11532-009-0050-y}, author = {Gadekar, Lakshman S. and Mane, Shivshankar R. and Katkar, Santosh S. and Arbad, Balasaheb R. and Lande, Machhindra K.} } @article { ISI:000272759400005, title = {Scolecite catalyzed facile and efficient synthesis of polyhydroquinoline derivatives through hantzsch multi-component condensation}, journal = {Bulletin of the Korean Chemical Society}, volume = {30}, number = {11}, year = {2009}, month = {NOV}, pages = {2532-2534}, publisher = {KOREAN CHEMICAL SOC}, address = {635-4 YEOGSAM-DONG, KANGNAM-GU, SEOUL 135-703, SOUTH KOREA}, abstract = {

A facile and efficient synthetic route has been developed for the polyhydroquinoline via four component reactions of aldehydes, dimedone, ethyl acetoacetate and ammonium acetate in the presence of catalytic amount of scolecite in ethanol at 70 degrees C through Hantzsch reaction. This method gives remarkable advantages such as simple work-up procedure. environmentally friendly, inexpensive, non-toxic and recyclable catalyst, shorter reaction time along with excellent yields

}, keywords = {heterogeneous catalyst, Multicomponent reaction, Polyhydroquinoline, Reusable catalyst}, issn = {0253-2964}, author = {Gadekar, Lakshman S. and Katkar, Santosh S. and Mane, Shivshankar R. and Arbad, Balasaheb R. and Lande, Machhindra K.} } @article { ISI:000273100600003, title = {Selective binding of benzoquinone with a Pt-II-cyclophane constructed on the skeleton of N,N {\textquoteleft}-bis(salicylidene)-p-phenylenediamine: synthesis and spectroscopic studies}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {48}, number = {12}, year = {2009}, month = {DEC}, pages = {1644-1651}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

The Schiff base NN{\textquoteright}-bis(salicylidene)-p-phenylenediamine has been complexed with Pt(en)Cl-2 and the resulting Pt-II-cyclophane, [Pt(en)L](2)center dot 4PF(6), reacted with phenol, resorcinol, hydroquinone or benzoquinone in DMSO solution. Their binding has been monitored by the variation in the corresponding UV-visible and emission spectral patterns. The binding properties are compared with the earlier reported Zn-II-cyclophane [Zn(bpy)L](2) (bpy = 2,2{\textquoteright}-bipyridine). A few solid adducts of phenol and benzoquinone with the Pt-II-cyclophane complex and hydroquinone as well as that of resorcinol with the Zn-cyclophane have also been synthesized and characterized.

}, keywords = {Coordination chemistry, Cyclophanes, Metallocyclophanes, platinum, Schiff bases}, issn = {0376-4710}, author = {Kumari, Niraj and Prajapati, Rishikesh and Dixit, Mudit and Mishra, Lallan} } @article { ISI:000263491600023, title = {Selective hydroxyalkylation of phenol to bisphenol F over dodecatungstophosphoric acid (DTP) impregnated on fumed silica}, journal = {Applied Catalysis A-General}, volume = {354}, number = {1-2}, year = {2009}, month = {FEB}, pages = {176-182}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The catalyst activity of various solid acids, such as fumed Silica (SiO(2)) dodecatungstophosphoric acid (DTP), DTP impregnated on SiO(2), amberlyst-15 and montmorillonite KSF/0, was studied for the hydroxyalkylation of phenol to bisphenol F. A well-dispersed DTP on SiO2 catalyst was prepared by the wet impregnation method. The effect of DTP loading on SiO(2) was also compared with bulk DTP and other solid acid catalysts. 20\% DTP/SiO(2) catalyst gave the highest products yield of 34.2\% and selectivity of 90.1\% to bisphenol F, at 353 K and with a phenol-to-formaldehyde mole ratio of 5:1. Ammonia TPD studies of various catalysts showed that an appropriate combination of both strong and weak acid sites of DTP/SiO(2) Was mainly responsible, rather than only the stronger acidity of bulk DTP, for its highest catalytic activity and selectivity. The effect of various reaction parameters like mole ratio, catalyst concentration, temperature and reaction time on product yield and bisphenol F selectivity was also investigated. The catalyst recycle was established by catalyst activity testing. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Bisphenol F, Hydroxyalkylation, NH(3)-TPD, Reaction pathways, solid acid catalysts}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.11.025}, author = {Garade, Ajit C. and Kshirsagar, V. S. and Rode, C. V.} } @article { ISI:000266185600012, title = {Selective N-alkylation of aniline with methanol over a heteropolyacid on montmorillonite K10}, journal = {Applied Clay Science}, volume = {44}, number = {3-4}, year = {2009}, month = {MAY}, pages = {255-258}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

N-methylaniline is an industrially important product in the manufacture of paper, textile dyes, drugs, perfumes and explosives. The vapour phase alkylation of aniline with methanol forming N-methylaniline is advantageous over liquid phase alkylation. In present study, vapour phase methylation of aniline over dodecatungestophosphoric acid supported on K10 montmorillonite was systematically studied and optimization of process parameters was carried out. The 20\% m/m DTPA/K10 was found to be optimum with 79\% aniline conversion and 99\% N-methylaniline selectivity. The reaction required milder operating conditions than reported for commercial catalysts. We also studied the feasibility of 20\% m/m DTPA/K10 as a catalyst for the alkylation of aniline with other alcohols like ethanol, n-propanol, iso-propanol and n-butanol. The activity of 20\% m/m DTPA/K10 decreased with increasing carbon number. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Alkylation, Aniline, Heteropolyacid, montmorillonite K10, N-methylaniline}, issn = {0169-1317}, doi = {10.1016/j.clay.2009.02.011}, author = {Nehate, Manoj and Bokade, Vijay V.} } @article { ISI:000266188300010, title = {Selective oxidation of aromatic primary alcohols to aldehydes using molybdenum acetylide oxo-peroxo complex as catalyst}, journal = {Tetrahedron Letters}, volume = {50}, number = {24}, year = {2009}, month = {JUN}, pages = {2885-2888}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Selective oxidation of various aromatic alcohols to aldehydes has been carried out with very high conversion (90\%) and selectivity (90\%) for aldehydes using cyclopentadienyl molybdenum acetylide complex, CpMo(CO)(3)(C CPh) (1) as catalyst and hydrogen peroxide as environmentally benign oxidant, Water-soluble Mo acetylide oxo-peroxo species is formed in situ after reaction of I with aqueous hydrogen peroxide during the Course of reaction as catalytically active species. Interestingly even though the catalyst is homogeneous it Could be recycled very easily by separating the products in organic phase and catalyst in aqueous phase using separating funnel. Even after five recycles no appreciable loss in alcohol conversion and aldehyde selectivity was observed. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Homogenous catalyst, Hydrogen peroxide, Molybdenum complex, Oxidation, Oxo-peroxo, Primary aromatic alcohol}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.03.178}, author = {Biradar, Ankush V. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000263509700027, title = {Selective oxidation of benzyl alcohol over copper phthalocyanine immobilized on MCM-41}, journal = {Catalysis Letters}, volume = {128}, number = {3-4}, year = {2009}, month = {MAR}, pages = {434-442}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Copper phthalocyanine (CuPc) complexes immobilized on {\textquoteleft}{\textquoteleft}neat{\textquoteright}{\textquoteright} and Ti(4+) and Al(3+) containing MCM-41 mimic the functionality of metalloenzymes. These novel materials catalyze the oxidation of benzyl alcohol to selectively benzaldehyde at moderate temperatures using peroxides and molecular oxygen as oxidant. Electron paramagnetic resonance and X-ray photoelectron spectroscopic studies revealed that the acidity of the support (MCM-41) influences the electronic structure of the immobilized CuPc. On acidic supports a part of copper in CuPc got reduced from a {\textquoteleft}{\textquoteleft}formal{\textquoteright}{\textquoteright} +2 to +1 oxidation state. This reduction of copper in its oxidation state on different supports decreased in the order: Al-MCM-41 (Bronsted and strong Lewis acid sites) \> MCM-41 (silanol sites) \> Ti-MCM-41 (weak Lewis acid sites). A linear variation in catalytic activity with the concentration of Cu(1+) ions in different catalyst samples was observed. The study reveals that by suitably modifying the acidic properties of the support one can, in principle, fine-tune the electronic and catalytic properties of the active oxidation sites.

}, keywords = {Copper phthalocyanine, EPR, MCM-41, Selective oxidation of benzyl alcohol, UV-visible spectroscopy}, issn = {1011-372X}, doi = {10.1007/s10562-008-9770-4}, author = {Hamza, A. and Srinivas, D.} } @article { ISI:000264437500002, title = {Selective oxidations over zeolite- and mesoporous silica-based catalysts: selected examples}, journal = {Catalysis Today}, volume = {141}, number = {1-2}, year = {2009}, note = {18th National Symposium and Indo-US Seminar on Catalysis, Indian Inst Petroleum, Dehradun, INDIA, APR 16-18, 2007}, month = {MAR}, pages = {3-11}, publisher = {Catalysis Soc India; Petrotech Soc; Indo US Sci \& Technol Forum}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Selective oxidation of hydrocarbons/terpenes in the liquid phase are reported over three categories of zeolite- and mesoporous silica-based catalysts: (1) transition metal complexes (metal phthalocyanines, copper acetate dimers and Co/Mn acetate trimer) encapsulated in zeolite-Y, (2) transition metal complexes (Mn-Salen), grafted on SBA-15, and (3) transition metal ions in framework positions of zeolites and mesoporous molecular sieves like Ti-silicates. Upon heterogenization, the metal complexes exhibited enhanced catalytic acitivity/selectivity. The causes for the enhanced catalytic activity/product selectivity have been explored. Dimer formation (copper acetate) or geometric distortion in the zeolite cavities (metal phthalocyanines) and consequent changes in energy levels and redox potentials are shown to modify the catalytic activity (in the selective oxidation of hydrocarbons) of the encapsulated metal complexes. In the case of Mn-Salen grafted on SBA-15, increasing the acidity of the siliceous surface (by -SO(3)H groups, for example) leads to a more facile reduction of the Mn ions and, thereby, enhanced catalytic activity in the selective epoxidation of limonene. When Ti ions are introduced in framework positions, reactive metal-oxo species are formed on contact with H(2)O(2) or O(2), Which influence the mode of O-O cleavage (heterolytic/homolytic) and product selectivity. The structure-function relationships in these catalysts are reported. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Mn-Salen, Oxidation of hydrocarbons and limonene, Reactive oxo species, Selective oxidation, Titanosilicates, Zeolite-encapsulated metal complexes}, issn = {0920-5861}, doi = {10.1016/j.cattod.2008.03.009}, author = {Ratnasamy, Paul and Srinivas, Darbha} } @article { ISI:000264521700002, title = {Selective synthesis of cumene by isopropylation of benzene using catalytic membrane reactor}, journal = {Chemical Engineering Journal}, volume = {147}, number = {2-3}, year = {2009}, month = {APR}, pages = {97-101}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Selective isopropylation of benzene to cumene is demonstrated using catalytic membrane reactor (CMR), to our knowledge for the first time and the performance was evaluated against conventional plug flow reactor (PFR). Almost complete elimination of byproducts like polyalkylated benzene and higher aromatics could be made possible by using CMR. These are present in significant amount when reaction is carried out with PFR. The cumene selectivity increased up to a maximum of 97.25\% by CMR as against 90.05\% with conventional PFR. The effect of reaction parameters that can greatly influence the process economics, such as liquid hourly space velocity (LHSV), reactant mole ratio and catalyst/reactor volume ratio were investigated. Changes in these parameters made for CMR are industrially advantageous. The process by CMR is more economical and ecofriendly than PFR as far as milder process parameters (higher LHSV, lower reactant feed mole ratio, less catalyst require, etc.) and process intensification (reaction and separation in single reactor) are concerned. The study provides new insights for benzene isopropylation reaction. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Benzene, Catalytic membrane reactor, cumene, Diisopropyl benzene, Friedel-Craft alkylation}, issn = {1385-8947}, doi = {10.1016/j.cej.2008.06.035}, author = {Bokade, Vijay V. and Kharul, Ulhas K.} } @article { ISI:000261660200019, title = {Self assembled hydrophobic nanoclusters of poly(methylmethcrylate) embedded into polyvinyl alcohol based hydrophilic matrix: preparation and water sorption study}, journal = {Journal of Applied Polymer Science}, volume = {111}, number = {3}, year = {2009}, month = {FEB}, pages = {1300-1310}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Hydrophilic matrices containing nanosized Clusters of hydrophilic moieties have demonstrated potential applications in biomedical field. A novel hydrogel containing nanosized domains (20-35 nm) of hydrophobic moieties of poly(methyl methacrylate) (PMMA) was prepared by grafting crosslinked p ly(acrylic acid-co-methyl-methacrylate) chains onto polyvinyl alcohol (PVA) backbone using an efficient redox system. The graft copolymerization process was investigated to observe the influence of gel components on the kinetic parameters of grafting such as rate of grafting (R(g)), grafting yield (G(y)) and grafting efficiency (G(e)). The prepared graft nanohydrogel was evaluated for its water sorption potential under varying chemical composition of the gel and changing pH, temperature, and ionic strength of the swelling bath. The swelling process was also examined mechanistically and diffusion constants (D) of water molecules through the swellable nanohydrogel were also evaluated. (c) 2008 Wiley Periodicals, Inc. J ppl Polym Sci 111: 1300-1310, 2009

}, keywords = {graft copolymers, hydrophilic polymers, Nanocomposites, swelling}, issn = {0021-8995}, doi = {10.1002/app.29155}, author = {Shukla, Sandeep Kumar and Shaikh, A. Wasif and Gunari, Nikhil and Bajpai, A. K. and Kulkarni, R. A.} } @article { ISI:000269017700010, title = {Self-assembled cylindrical and vesicular molecular templates for polyaniline nanofibers and nanotapes}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {34}, year = {2009}, month = {AUG}, pages = {11614-11624}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report a soft template approach based on a custom-designed novel surfactant-cum-dopant for size and shape tuning of polyaniline nanomaterials such as nanofibers and nanotapes via emulsion and dispersion polymerization routes. A new amphiphilic 4-(3-dodecyl-8-enylphenyloxy) butane sulfonic acid was synthesized by ring-opening of butanesultone with renewable resource cardanol. The new amphiphilic dopant forms spherical micelles in water and its critical micelle concentration was determined by dye encapsulation and surface tension methods. In the emulsion route, the amphiphilic dopant complexed with aniline to produce cylindrical micellar aggregates that template exclusively for polyaniline nanofibers. The dispersion of aniline + dopant in water/toluene solvent mixture produces vesicles that selectively template for polyaniline nanotapes. The mechanism of the polyaniline nanomaterials formation was investigated by dynamic light scattering (DLS) and high-resolution transmission electron microscopy (HR-TEM). DLS of the polymerization templates in water proved the presence of micrometer range aggregates, and TEM images confirmed the shape of the cylindrical and vesicular templates. The polyaniline nanomaterials were found soluble in water and polar organic solvents for structural characterization and composition analysis by H-1 NMR spectroscopy. Absorbance spectra of the nanomaterials showed free carrier tail above 900 nm in the near IR region for the delocalization of electrons in the polaron band Corresponding to expanded conformation of polyaniline chains, Wide angle X-ray diffraction showed two new peaks at low angle region with d-spacing of 26.5 and 13.6 angstrom Corresponding to lamellar ordering of polyaniline chains followed by interdigitations of the amphiphilic dopant in the nanomaterials.

}, issn = {1520-6106}, doi = {10.1021/jp9043418}, author = {Anilkumar, P. and Jayakannan, M.} } @article { ISI:000264111200022, title = {Self-assembly of silica particles in a nonionic surfactant hexagonal mesophase}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {11}, year = {2009}, month = {MAR}, pages = {3423-3430}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We investigate the process of self-assembly, and the resultant structures in composites of silica particles with a hexagonal mesophase of a nonionic surfactant and water. We report a systematic transition in behavior when the particle size is increased relative to the characteristic mesophase spacing. Water dispersible cage-like silsesquioxanes that are molecular analogues of silica particles and are smaller than the mesophase spacing swell the space between the surfactant cylinders. Silica particles comparable to the characteristic hexagonal spacing partition into the hexagonal phase and into strandlike particulate aggregates. Even larger particles phase separate from the hexagonal phase to form particulate strands that organize with a mesh size comparable to the wavelength of visible light. This self-assembly is reversible and the particles disperse by breaking up the aggregates on heating the composite into the isotropic phase. On cooling from the isotropic phase into the hexagonal, the particles are expelled from the growing hexagonal domains and finally impinge to form strandlike aggregates. Unusually, the isotropization temperature is increased in the composites as the particles nucleate the formation of the hexagonal phase.

}, issn = {1520-6106}, doi = {10.1021/jp810769g}, author = {Sharma, Kamendra P. and Kumaraswamy, Guruswamy and Ly, Isabelle and Mondain-Monval, Olivier} } @article { ISI:000271103500021, title = {Self-similar dynamics of a flexible ring polymer in a fixed obstacle environment: a coarse-grained molecular model}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9514-9522}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this contribution we concern ourselves with an interesting problem, namely, the dynamics of ideal flexible ring polymers constrained in tin array of fixed obstacles. The fundamental issue in this problem is to understand how a topologically constrained polymer chain is able to relax its conformation in the absence of chain ends. The key physics was provided in tin elegant scaling theory by Rubinstein and co-workers (Obukhov, S. P; Rubinstein, M.; Duke, T. Dynamics of a Ring Polymer in a Gel. Phys. Rev. Lett. 1994, 73, 1263-1267). In this work we develop a coarse-grained mean-field model based oil the physical arguments of the scaling theory and derive constitutive relations for rings in fixed obstacle and melt environments. The model is composed of three distinct steps. In the first step the dynamics of an arbitrary section of a ring chain is worked out based oil fractal Blob-Spring (BS) dynamics, and the center of mass diffusion and the relaxation spectrum of this section are determined. In the second step the center of mass diffusion obtained using the BS dynamics is used to model the one-dimensional diffusion of the section in a topologically constrained environment. In the final step we invoke the idea of dynamic self-similarity and argue that the dynamics described in the first and the second step, for any arbitrary section of the chain, applies to all sections of the chain. The constitutive relation is obtained consequently as the superposition of dynamic response of all sections of the ring chain.

}, issn = {0888-5885}, doi = {10.1021/ie900535v}, author = {Iyer, Balaji V. S. and Lele, Ashish K. and Juvekar, Vinay A. and Mashelkar, Raghunath Anant} } @article { ISI:000269185000035, title = {Sensitivity enhancement of Si-29 double-quantum dipolar recoupling spectroscopy by Carr-Purcell-Meiboom-Gill acquisition method}, journal = {Chemical Physics Letters}, volume = {478}, number = {4-6}, year = {2009}, month = {AUG}, pages = {287-291}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An enhancement in the detection sensitivity of dipolar recoupled Si-29 double-quantum magic-angle spinning experiment is shown with a Carr-Purcell-Meiboom-Gill (CPMG) train of pi pulses during the acquisition period. Symmetry-adapted pulse schemes, such as POST-C7 and SR26(4)(11), are used for the double-quantum excitation. Application of POST-C7-CPMG method for framework characterisation is demonstrated in the disordered and catalytically important ZSM-5 molecular sieve. Based on the observed double-quantum dipole-dipole correlations and the known T-site Si connectivities, the assignment of all the signals is made for the orthorhombic phase of the as-synthesised (CN form) material. (C) 2009 Elsevier B. V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2009.07.066}, author = {Goswami, M. and Madhu, Perunthiruthy K. and Dittmer, J. and Nielsen, N. C. and Ganapathy, Subramanian} } @article { ISI:000264897200052, title = {Shape and size selective separation of gold nanoclusters by competitive complexation with octadecylamine monolayers at the air-water interface}, journal = {Journal of Colloid and Interface Science}, volume = {333}, number = {1}, year = {2009}, month = {MAY}, pages = {380-388}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The paper presents a time-dependent study of shape-dependent preferential complexation of gold nanoparticles to the octadecyl amine (ODA) monolayers at the air-water interface. Room temperature reduction of chloroaurate ions using lemon grass leaf extract yields a Mixture of spherical and triangular nanoparticles, which were used for this study. These nanoparticles have a net negative charge on their surface due to the presence of biomolecules from plant extract and thus a strong attractive electrostatic interaction with the positively charged ODA monolayers drives the complexation process. The extent of preferential complexation of the gold nanoparticles to the ODA monolayers is a function of the charge on the particles and the relative mobility of the nanoclusters in the medium. The complexation process has been followed in real time by a host of techniques such as surface pressure-area (pi-A) isotherms, UV-vis-NIR spectroscopy and Brewster angle microscopy. The charge and mobility of the gold nanoparticles was confirmed by measurement of their electrophoretic mobility. Langmuir-Blodgett films of the nanogold-ODA composites have been characterized by UV-vis-NIR spectroscopy, Fourier transform infrared spectroscopy, and transmission electron microscopy. These measurements clearly indicate that the cluster mobility and complexation increase with decreasing cluster size. In the competitive complexation process of large and small gold particles, it was observed that some bigger gold particles were also incorporated into the amine matrix even though the cluster mobility is higher for smaller gold particles. (c) 2009 Elsevier Inc. All rights reserved.

}, keywords = {Competitive complexation, gold nanoparticles, Langmuir-Blodgett technique, ODA monolayer}, issn = {0021-9797}, doi = {10.1016/j.jcis.2008.12.076}, author = {Pasricha, Renu and Singh, Amit and Sastry, Murali} } @article { ISI:000271280200036, title = {Short synthesis of 3,6-disubstituted N-2-thienyl/aryl-indoles}, journal = {Tetrahedron Letters}, volume = {50}, number = {47}, year = {2009}, month = {NOV}, pages = {6562-6566}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short synthetic strategy for 3,6-disubstituted-N-2-thienyl/aryl-indoles, involving reaction of substituted 2,4-difluoro/dichloro-styrene epoxide with substituted 2-formylaminothiophenes or substitued N-formylanilins in the presence of a base followed by treatment with an acid, has been developed The method was applied for the synthesis of a number of indoles with a variety of substitutents at 1, 3, and 6 positions of the indole moiety. (C) 2009 Elsevier Ltd All rights reserved.

}, keywords = {Formylaminothiophene, Gewald synthesis, Indole, Styrene epoxide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.09.049}, author = {Borate, Hanumant B. and Sawargave, Sangmeshwer P. and Maujan, Suleman R.} } @article { ISI:000264490200029, title = {Short total synthesis of (+)-cryptocarya diacetate}, journal = {Heterocycles}, volume = {77}, number = {2}, year = {2009}, month = {FEB}, pages = {945-952}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short synthesis of (+)-cryptocarya diacetate was achieved by employing three component linchpin coupling, diastereoselective reduction of beta-hydroxyketone, and Z-selective HWE reaction as key transformations.

}, keywords = {Brook Rearrangement, cryptocarya diacetate, Diastereoselective Reduction, Horner-Wadswarth-Emmons Reaction, Linchpin coupling}, issn = {0385-5414}, doi = {10.3987/COM-08-S(F)107}, author = {Gurjar, Mukund K. and Raghupathi, Neelarapu and Chorghade, Mukund S.} } @article { ISI:000266390000011, title = {Silver fused conducting fiber formation of Au-Ag core-shell nanoparticles mediated by ascorbic acid}, journal = {Plasmonics}, volume = {4}, number = {2}, year = {2009}, month = {JUN}, pages = {161-170}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

In this paper, we report the spontaneous formation of fibrous structures consisting of assemblies of Au-Ag core-shell nanoparticles (NPs) from a solution consisting of Au-Ag core-shell NPs and l-ascorbic acid (AA). AA acted both as the reducing agent for the generation of NPs and also as the mediator for the formation of fibers. The process of fiber formation involved three steps-reduction of HAuCl(4) to Au NPs by AA, subsequent formation of Au-Ag core-shell NPs after addition of AgNO(3), and spontaneous formation of fibers from the mixtures in water. It took typically about 30 days to form complete fibers that are of lengths of several hundred micrometers to millimeters, although nanofibers started forming from the first day of solution preparation. The width of each of these fibers was typically about 1-4 A mu m with length of each segment of fiber bundle, on the order of 40 A mu m. Formation of fibers was also observed in absence of AgNO(3). These fibers consisted of Au NPs and polymer of AA degradation products and were not electrically conducting. Also, low concentrations of AgNO(3) produced fibers with low electrical conductivity. However, it was observed that increase in the amount of AgNO(3) leads to the formation of fibers that were electrically conducting with conductivity values in the range of metallic conductivity. Spectroscopic and electron microscopic investigations were carried out to establish the formation of fibers. The details of fiber formation mechanism under different conditions and electrical conductivities of the fibers are discussed in the article.

}, keywords = {Ascorbic acid, core-shell, Fiber, Gold, Nanoparticles, Silver}, issn = {1557-1955}, doi = {10.1007/s11468-009-9091-5}, author = {Murugadoss, A. and Kar, Manoranjan and Pasricha, Renu and Chattopadhyay, Arun} } @article { ISI:000268726500015, title = {Simple and efficient enzymatic transglycosylation of stevioside by beta-cyclodextrin glucanotransferase from Bacillus firmus}, journal = {Biotechnology Letters}, volume = {31}, number = {9}, year = {2009}, note = {13th International Biotechnology Symposium and Exhibition (IBS-2008), Dalian, PEOPLES R CHINA, OCT 12-17, 2008}, month = {SEP}, pages = {1415-1420}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Stevioside was subjected to 1,4-intermolecular transglycosylation using beta-cyclodextrin glucanotransferase (beta-CGtase) produced from an alkalophilic strain of Bacillus firmus. The reaction was carried out by traditional, ultrasound-assisted and microwave-assisted techniques. Reaction under microwave conditions was faster and was completed in 1 min yielding two 1,4 transglycosylated products, 4{\textquoteright}-O-alpha-d-glycosyl stevioside (I) and 4{\textquoteright}{\textquoteright}-O-alpha-d-maltosyl stevioside (II) in 66\% and 24\%, respectively. The optimum transglycosylation occurred by using stevioside (1.24 mmol), beta-CD (1.76 mmol) and beta-CGtase (2 U/g) under microwave assisted reaction (MAR) in 5 ml sodium phosphate buffer (pH 7) at 50A degrees C and 80 W power. MAR is therefore potentially a useful and economical method for faster transglycosylation of stevioside.

}, keywords = {beta-cyclodextrin, beta-Cyclodextrin glucanotransferase, Microwave-assisted reaction, Stevia rebaudiana, Stevioside, Transglycosylation}, issn = {0141-5492}, doi = {10.1007/s10529-009-0020-7}, author = {Jaitak, V. and Kaul, V. Kumar and Bandna and Kumar, N. and Singh, B. and Savergave, L. S. and Jogdand, Vitthal V. and Nene, S.} } @article { ISI:000207804200008, title = {Single step synthesis and properties of M/MFe2O4 and PVDF/M/MFe2O4 (M = Co, Ni) magnetic nanocomposites}, journal = {Science of Advanced Materials}, volume = {1}, number = {3}, year = {2009}, month = {DEC}, pages = {262-268}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Metal/ferrite nanocomposites (M/MFe2O4; M = Co, Ni), consisting of nanoparticles of a metal and the corresponding metal ferrite, have been synthesized under in situ conditions by a simple and single step process. The metal/ferrite nanocomposites embedded in a polymer matrix have been prepared by a simple hot-pressing method. The performance parameters such as magnetization, coercivity, permeability and dielectric constant of the two- and three-phase nanocomposite systems are compared. The coercivity increases and the permeability decreases with increasing polymer content in the three-phase composite. Enhancement of the dielectric constant is observed at low frequencies.

}, keywords = {Dielectric, Ferrite, magnetic properties, Nanocomposite, Nanocrystalline, permeability}, issn = {1947-2935}, doi = {10.1166/sam.2009.1053}, author = {Deka, Sasanka and Joy, Pattayil Alias and Kumar, A. Pratheep} } @article { ISI:000270168600003, title = {Size-independent differences between the mean of discrete stochastic systems and the corresponding continuous deterministic systems}, journal = {Bulletin of Mathematical Biology}, volume = {71}, number = {7}, year = {2009}, month = {OCT}, pages = {1599-1611}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

In this paper, it is shown that for a class of reaction networks, the discrete stochastic nature of the reacting species and reactions results in qualitative and quantitative differences between the mean of exact stochastic simulations and the prediction of the corresponding deterministic system. The differences are independent of the number of molecules of each species in the system under consideration. These reaction networks are open systems of chemical reactions with no zero-order reaction rates. They are characterized by at least two stationary points, one of which is a nonzero stable point, and one unstable trivial solution (stability based on a linear stability analysis of the deterministic system). Starting from a nonzero initial condition, the deterministic system never reaches the zero stationary point due to its unstable nature. In contrast, the result presented here proves that this zero-state is a stable stationary state for the discrete stochastic system, and other finite states have zero probability of existence at large times. This result generalizes previous theoretical studies and simulations of specific systems and provides a theoretical basis for analyzing a class of systems that exhibit such inconsistent behavior. This result has implications in the simulation of infection, apoptosis, and population kinetics, as it can be shown that for certain models the stochastic simulations will always yield different predictions for the mean behavior than the deterministic simulations.

}, keywords = {Biochemical reaction kinetics, Continuous systems, Deterministic chemical kinetics, Discrete systems, Stochastic reaction kinetics}, issn = {0092-8240}, doi = {10.1007/s11538-009-9415-9}, author = {Gadgil, Chetan J.} } @article { ISI:000270338700005, title = {Solid acid catalysts: modification of acid sites and effect on activity and selectivity tuning in various reactions}, journal = {Catalysis Surveys from Asia}, volume = {13}, number = {3}, year = {2009}, month = {SEP}, pages = {205-220}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The effects of acidity and variation in concentration of acid sites of dodecatungstophosphoric acid (DTP), supported DTP and montmorillonite-K catalysts were studied for various organic reactions such as the hydroxyalkylation of phenols to bisphenols, intramolecular rearrangement of benzyl phenyl ether (BPE) to 2-benzyl phenol (2-BP) and selective cleavage of tert-butyldimethylsilyl (TBDMS) ether into the corresponding alcohol. Both dodecatungstophosphoric acid (DTP) impregnated on silica (SiO(2)) and montmorillonite catalysts showed the highest catalyst activity with 90-95\% selectivity to bisphenol for the hydroxyalkylation of phenols to give bisphenol. Temperature Programmed Desorption (TPD) of ammonia and activity results of various catalysts showed that an appropriate combination of both strong and weak acidic sites in the catalyst was highly desirable for high bisphenol selectivity. A 10\% DTP/SiO(2) catalyst was found to be highly selective for the cleavage of TBDMS ether into the corresponding alcohol at room temperature giving a high TON of 9.5 x 10(5) even after the 4th recycle. DTP was also found to be a promising solid acid catalyst for the intramolecular rearrangement of BPE giving 2-BP.

}, keywords = {Acidity tuning, Catalytic cleavage, Hydroxyalkylation, Intramolecular rearrangement, solid acid catalysts}, issn = {1571-1013}, doi = {10.1007/s10563-009-9078-4}, author = {Rode, C. V. and Garade, Ajit C. and Chikate, Rajeev C.} } @article { ISI:000262987800024, title = {Solid state synthesis and room temperature magnetic properties of iron phosphide nanoparticles}, journal = {Journal of Nanoparticle Research}, volume = {11}, number = {2}, year = {2009}, month = {FEB}, pages = {491-497}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Room temperature magnetic properties have been achieved for nano-crystalline iron phosphide synthesized from the direct solid state reaction of iron chloride and tri-octylphosphine (TOP). The magnetization continuously increased with higher magnetic fields, indicating a super-paramagnetic behavior. It is observed that room temperature magnetism is possible for the material showing antiferromagnetic nature at low temperatures. In the present synthesis, TOP acted as a source of phosphorus as well as a surfactant. X-ray diffraction (XRD) studies revealed that the black powder is a mixture of FeP and Fe(2)P. Transmission electron microscopy (TEM) and scanning electron microscopy (SEM) showed elongated as well spherical particles. Energy dispersion X-ray analysis (EDAX) confirmed a non-stoichiometric iron phosphide. Presence of TOP was confirmed by infra-red (IR) spectroscopy, and thermo-gravimetric analysis (TGA) indicated about 6\% wt. loss due to presence of organics.

}, keywords = {Iron phosphide, Semiconductors, Solid state reaction, synthesis, XRD}, issn = {1388-0764}, doi = {10.1007/s11051-008-9458-0}, author = {Singh, N. and Khanna, P. K. and Joy, Pattayil Alias} } @article { ISI:000271103500038, title = {Solid suspension and liquid phase mixing in solid-liquid stirred tanks}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9713-9722}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Stirred tanks are widely used in chemical process industries for catalytic reactions, dissolution of solids, crystallization, and so oil. In designing and optimizing such processes, suspension quality Of Slurry is an important parameter. Suspension quality depends upon complex interactions of impeller generated flow, turbulence, and solid loading. Most of the earlier work on solid suspension focuses Oil identifying critical impeller speed for just suspension of solids (N(js)). In this study, apart from N(js) aspects like cloud height and liquid phase mixing in solid-liquid suspensions were also studied A new way of characterizing solid-liquid suspensions and liquid phase mixing using nonintrusive wall pressure fluctuation measurements has been developed. Systematic experimental data on N(js), cloud height, power consumption, mixing time, and circulation time over a range of solid volume fraction and impeller speeds have been presented here. The results and discussion presented here will have useful implications for designing solid-liquid stirred tanks.

}, issn = {0888-5885}, doi = {10.1021/ie801858a}, author = {Sardeshpande, Madhavi V. and Sagi, Aparna R. and Juvekar, Vinay A. and Ranade, Vivek V.} } @article { ISI:000268923200029, title = {Solubilization and conformational behavior of zein in aqueous solution of dodecyldimethylethylammonium bromide (DDAB)}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {346}, number = {1-3}, year = {2009}, month = {AUG}, pages = {195-201}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The solubilization and conformational behavior of Zein in the presence of cationic surfactant, dodecyldimethylethylammonium bromide (DDAB) have been studied. The colloidal properties of DDAB in the absence and presence of Zein have also been investigated using physico-chemical and spectroscopy methods. The surfactant appears to bind to Zein at concentrations below the critical micelle concentration (cmc) and the binding becomes weaker at concentrations above the cmc. The interaction between DDAB and Zein depends on the chemical structure and molecular parameters (conformation, molar mass, charge) of the protein. The schematic sketches of the molecular mechanisms of the complex formation between like-charged proteins and surfactants have been proposed. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Absorbance spectroscopy, Aggregation number, conductivity, DDAB, FT-IR, Surface tension, viscosity, Zein}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2009.06.016}, author = {Mehta, S. K. and Bhawna and Bhasin, K. K. and Kumar, Anil} } @article { ISI:000263939200021, title = {Solvent extraction of trivalent indium from succinate solution by 2-octylaminopyridine in chloroform}, journal = {Journal of the Iranian Chemical Society}, volume = {6}, number = {1}, year = {2009}, month = {MAR}, pages = {200-212}, publisher = {IRANIAN CHEMICAL SOC}, address = {NO 7, MARAGHEH ST, OSTAD NEJATOLLAHI AVE, PO BOX 15875-1169, TEHRAN, 00000, IRAN}, abstract = {

Extraction processes of indium(III) with 2-octylaminopyridine (2-OAP) from media of various complexing ability, succinate and salicylate, in chloroform have been elucidated. The ion-pair complex has also quantitative extraction in xylene and 1,2-dichloroethane. Indium(III) from organic phase was stripped with 1.0 M hydrochloric acid and determined complexometrically with EDTA. The stoichiometry of the extracted species was found out on the basis of slope analysis. The extraction of indium(III) proceeds by an anion exchange mechanism and the extracted species is [RR{\textquoteright}NH(2)(+)In(succinate)(2)(-)]((org)). Temperature dependence of the extraction equilibrium constant was also examined to estimate the apparent thermodynamic functions (Delta H, Delta G and Delta S) for extraction reaction. It is possible to separate indium(III) from Zn(II), Cd(II), Pb(II), Hg(II), Bi(III), Tl(I), Tl(III), Ga(III), Al(III), Te(IV), Se(IV), Sb(III), Fe(III) and Sn(IV). The method is simple, rapid and reproducible and can be used to determine the indium from samples like alloys.

}, keywords = {2-OAP, Binary separations, Indium(III), liquid-liquid extraction, Sodium succinate}, issn = {1735-207X}, author = {Mahamuni, Sandip V. and Kolekar, S. S. and Wadgaonkar, P. P. and Anuse, Mansing A.} } @article { ISI:000266780000004, title = {Solvent-induced self-assembly in cardanol-based urethane methacrylate comb polymers}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {47}, number = {12}, year = {2009}, month = {JUN}, pages = {2996-3009}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

We report side chain urethane-methacrylate comb polymers based on the renewable resource cardanol and its saturated analogue 3-pentadecyl phenol and their self-assembly into pores, spheres, vesicles, tubes, and so forth. The monomers were synthesized in one pot by coupling 1 equiv. of isophorone diisocyanate with 1 equiv. of cardanol/pentadecyl phenol followed by coupling with 1 equiv. of hydroxyethyl methacrylate. They were polymerized free radically using benzoyl peroxide as the initiator and were characterized by NMR and FTIR, and their molecular weights were determined by gel permeation chromatography. The unique polymer design had sites for self-organization via hydrogen bonding of the side chain urethane units, pi-pi stacking interactions of the aromatic units as well as interdigitation of the long C(15) alkyl side chains in the polymer. The morphologies of solvent cast polymer films were studied using microscopic techniques such as scanning electron microscopy, transmission electron microscopy, and atomic force microscopy. The polymers exhibited three-dimensional honeycomb morphology in CHCl(3), whereas in tetrahydrofuran, they formed spheres. The direct cardanol-derived polymer PCIH showed a tendency for multiple morphologies such as spheres and tubes in tetrahydrofuran. (C) 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 2996-3009, 2009

}, keywords = {Morphology, polyurethanes, Renewable resources, self-organization}, issn = {0887-624X}, doi = {10.1002/pola.23383}, author = {Rekha, N. and Asha, S. K.} } @article { ISI:000270842400009, title = {Somatic embryogenesis from the axillary meristems of peanut (Arachis hypogaea L.)}, journal = {Plant Biotechnology Reports}, volume = {3}, number = {4}, year = {2009}, month = {OCT}, pages = {333-340}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Developmental anomalies in the plumule meristem of peanut (Arachis hypogaea L.) somatic embryos resulted in poor shoot differentiation and reduced plant recovery. Existing meristems with caulogenic potential have never been tested for embryogenesis in peanut. The present experiment was designed to test the mature zygotic embryo axis derived plumule with three meristems for somatic embryogenesis. Embryogenic masses and embryos developed from the caulogenic meristems in the axils. Exposure of 2 weeks in primary medium with 90.5 A mu M 2,4-D suppressed the shoot tip differentiation temporarily which then regained the ability to form the shoot on withdrawal of 2,4-D. Exposure of 4 weeks in primary medium with 90.5 A mu M 2,4-D suppressed the shoot tip differentiation irreversibly. No shoot formation was noted from the tips in any of the cultures which were in secondary medium with 13.6 A mu M 2,4-D. Development of somatic embryos directly from axillary meristems was confirmed histologically. Conversion frequency of these embryos was 11\%. Thus, in this report, we describe a method to obtain somatic embryos from the determined organogenic buds of the axillary meristem, by culturing the nodal explant vertically on embryo induction medium. It also displays the possibility of obtaining both embryogenic and organogenic potential in two parts of the same explant simultaneously. The possibility of extending this approach for genetic transformation in in vivo system through direct DNA delivery or Agrobacterium injection in meristems can also be explored. Using Agrobacterium rhizogenes, we have demonstrated the possibility of gene transfer in the axillary meristems of seed-derived plumule explant.

}, keywords = {Apical meristem, Axillary meristem, Mature zygotic embryo axis, Peanut, somatic embryogenesis}, issn = {1863-5466}, doi = {10.1007/s11816-009-0107-6}, author = {Singh, Shweta and Hazra, Sulekha} } @article { ISI:000269197400020, title = {Some mechanistic insights into the gelation of regenerated silk fibroin sol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {17}, year = {2009}, month = {SEP}, pages = {8014-8023}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We provide some new insights into the kinetics and mechanism of sol-gel transition as it pertains to regenerated silk fibroin, which is the principle structural protein of silkworm silk fiber. Silk fibroin was dissolved in lithium bromide and dialyzed against deionized water to prepare a regenerated fibroin solution. This solution was found to be unstable at lower pH and transformed into a colloidal gel. The kinetics and mechanism of the sol-gel transition were investigated using rheology and light scattering. We show that gelation proceeds in two steps. In the first step, a weak gel is formed almost immediately upon lowering the pH, while in the second step further gelation proceeds rapidly after a long induction time to form a self-similar structure.

}, issn = {0888-5885}, doi = {10.1021/ie801723f}, author = {Nagarkar, Shailesh and Patil, Avinash and Lele, Ashish K. and Bhat, Suresh K. and Bellare, Jayesh R. and Mashelkar, Raghunath Anant} } @article { ISI:000267478600011, title = {Spatial and temporal expression patterns of diverse Pin-II proteinase inhibitor genes in Capsicum annuum Linn}, journal = {Gene}, volume = {442}, number = {1-2}, year = {2009}, month = {AUG}, pages = {88-98}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Pin-II type proteinase inhibitor (PI) genes were cloned from fruit and stem tissues of Capsicum annuum L var Phule Jyoti using primers designed from reported CanPI gene sequence (AF039398). In total, 21 novel CanPIs, members of the Pin-II PI family, were identified in the study, with three isoforms of 1-inhibitory repeat domain (IRD), eight isoforms of 2-IRD), three isoforms of 3-IRD, five isoforms of 4-IRD and two partial CanPI sequences. Most of the sequences showed variation (2 to 20\%) in the deduced AA sequences which were pronounced close to the reactive site loop. Expression patterns of CanPIs in the fruit and stem tissues of mature C. annuum plants were shown to vary qualitatively and quantitatively using semi-quantitative RT-PCR expression analysis. In the fruit tissue. CanPIs with different IRDs (from 1 to 4) were expressed simultaneously. In stem tissue, 1- and 2-IRD CanPIs were strongly expressed along moderate expression of 3- and 4-IRD genes. Analysis of CanPI protein activity showed a range of active forms across the tissues. CanPI expression was differentially up-regulated upon wounding and insect attack. Although infestation by aphids (Myzus persicae) and lepidopteran pests (Spodoptera litura) specifically induced 4-IRD CanPIs, virus-infected leaves did not affect CanPI expression. Analysis of CanPI protein activity indicated that the up-regulation in CanPI expression was not always correlated with increase in PI activity. Our results demonstrated that CanPI expression is regulated spatially, temporally as well as qualitatively and quantitatively. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {CanPI, Capsicum annuum, Endogenous role, Pin-II, Plant defense, Proteinase inhibitor}, issn = {0378-1119}, doi = {10.1016/j.gene.2009.04.012}, author = {Tamhane, Vaijayanti A. and Giri, Ashok P. and Kumar, Pavan and Gupta, Vidya S.} } @article { ISI:000271603000046, title = {Stereo-controlled approach to pyrrolidine iminosugar C-glycosides and 1,4-dideoxy-1,4-imino-L-allitol using a D-mannose-derived cyclic nitrone}, journal = {Tetrahedron Letters}, volume = {50}, number = {49}, year = {2009}, month = {DEC}, pages = {6906-6908}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Intramolecular N-alkylation of 2,3-O-isopropylidene-5-O-methanesulfonyl-6-O-t-butyldimethylsilyl-D-mann ofuranose-oxime 7 afforded a five-membered cyclic nitrone 9, which on N-O bond reductive cleavage followed by deprotection of -OTBS and acetonide functionalities gave 1,4-dideoxy-1,4-imino-L-allitol (DIA) 3. Addition of allylmagnesium chloride to nitrone 9 afforded alpha-allylated product 10a in high diastereoselectivity providing an easy entry to N-hydroxy-C1-alpha-allyl-substituted pyrrolidine iminosugar 4a after removal of protecting group, while N-O bond reductive cleavage in 10a afforded C1-alpha-allyl-pyrrolidine iminosugar 4b. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Cyclic nitrone, Enzyme inhibitors, Iminosugars, pyrrolidine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.09.139}, author = {Bande, Omprakash P. and Jadhav, Vrushali H. and Puranik, Vedavati G. and Dhavale, Dilip D. and Lombardo, Marco} } @article { ISI:000269337500025, title = {Stereoselective construction of steroidal side chain from 16-dehydropregnenolone acetate}, journal = {Synlett}, number = {12}, year = {2009}, month = {JUL}, pages = {2005-2009}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Stereoselective construction of steroidal side chain at C-20 having {\textquoteleft}natural{\textquoteright} configuration using 16-dehydropregnalone acetate (16-6PA) as a starting material has been carried out. Palladium-catalyzed carbon-carbon bond-forming Heck reaction between C-20 vinyl iodide with methyl acrylate and transfer hydrogenation with triethylsilane and Pd/C are the key steps for stereoselective side-chain synthesis.

}, keywords = {16-dehydropregnenolone acetate, Heck coupling, stereoselectivity, steroidal side chain, transfer hydrogenation}, issn = {0936-5214}, doi = {10.1055/s-0029-1217521}, author = {Aher, Nilkanth G. and Gonnade, Rajesh G. and Pore, Vandana S.} } @article { ISI:000266930900018, title = {Stereoselective one-step construction of vicinal quaternary and tertiary stereocenters of the 5,10b-ethanophenanthridine skeleton: total synthesis of (+/-)-maritidine}, journal = {Organic Letters}, volume = {11}, number = {12}, year = {2009}, month = {JUN}, pages = {2547-2550}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The challenging vicinal quaternary and tertiary stereocenters of the 5,10b-ethanophenanthridine skeleton are created in a single step utilizing intramolecular [3 + 2]-cycloaddition of nonstabilized azomethine ylide as the key step. The application of the chemistry is demonstrated by synthesizing (+/-)-maritidine.

}, issn = {1523-7060}, doi = {10.1021/ol900806m}, author = {Pandey, Ganesh and Gupta, Nishant R. and Pimpalpalle, Tukaram M.} } @article { ISI:000264648900011, title = {Stereoselective synthesis of (+)-isoindolo-beta-carboline}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {2}, year = {2009}, month = {FEB}, pages = {220-224}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Starting from homophthalic anhydride and (S)-tryptophan, the stereoselective synthesis of (+)-isoindolo-beta-carboline has been described via the corresponding homophthalimide, its chemoselective oxidative ring contraction, and the intramolecular dehydrative ring closure followed by a geometry-specific demethoxycarbonylation. (C) 2009 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2009.01.001}, author = {Wakchaure, Prasad B. and Puranik, Vedavati G. and N. P. Argade} } @article { ISI:000271055100016, title = {Stereoselective synthesis of the densely functionalized C1-C9 fragment of amphidinolides C and F}, journal = {Tetrahedron Letters}, volume = {50}, number = {46}, year = {2009}, month = {NOV}, pages = {6276-6279}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of the C1-C9 subunit of amphidinolides C and F is described. Key steps include tandem Sharpless asymmetric dihydroxylation-S(N)2 cyclization reaction, Lewis acid-mediated epoxide opening, Wittig reaction, and Wacker oxidation. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Amphidinolide C and F, Cytotoxic, Tandem dihydroxylation-S(N)2, Wacker oxidation, Wittig reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.09.001}, author = {Mohapatra, Debendra K. and Dasari, Pavankumar and Rahaman, Hasibur and Pal, Rita} } @article { ISI:000266269600030, title = {Sterically controlled naphthalene homo-oligoamides with novel structural architectures}, journal = {Organic \& Biomolecular Chemistry}, volume = {7}, number = {11}, year = {2009}, month = {MAR}, pages = {2458-2465}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein we report novel naphthalene homo-oligoamides, derived from 4-amino-3-methoxy-naphthalene-2-carboxylic acid and 4-amino-1-methoxy-naphthalene-2-carboxylic acid as monomer building blocks, that display an anti-periplanar arrangement of the naphthyl rings, primarily induced by steric interactions between adjacent groups and functionalities.

}, issn = {1477-0520}, doi = {10.1039/b822076j}, author = {Prabhakaran, Panchami and Puranik, Vedavati G. and Chandran, Jima N. and Rajamohanan, P. R. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000263683800007, title = {Strain improvement and up scaling of phytase production by aspergillus niger NCIM 563 under submerged fermentation conditions}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {36}, number = {3}, year = {2009}, month = {MAR}, pages = {373-380}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Combination of physical and chemical mutagenesis was used to isolate hyper secretory strains of Aspergillus niger NCIM 563 for phytase production. Phytase activity of mutant N-1 and N-79 was about 17 and 47\% higher than the parent strain. In shake flask the productivity of phytase in parent, mutant N-1 and N-79 was 6,181, 7,619 and 9,523 IU/L per day, respectively. Up scaling of the fermentation from shake flask to 3 and 14 L New Brunswick fermenter was studied. After optimizing various fermentation parameters like aeration, agitation and carbon source in fermentation medium the fermentation time to achieve highest phytase activity was reduced considerably from 14 days in shake flask to 8 days in 14 L fermenter. Highest phytase activity of 80 IU/ml was obtained in 1\% rice bran-3.5\% glucose containing medium with aeration 0.2 vvm and agitation 550 rpm at room temperature on 8th day of fermentation. Addition of either bavistin (0.1\%), penicillin (0.1\%), formalin (0.2\%) and sodium chloride (10\%) in fermented broth were effective in retaining 100\% phytase activity for 8 days at room temperature while these reagents along with methanol (50\%) and ethanol (50\%) confer 100\% stability of phytase activity at 4A degrees C till 20 days. Among various carriers used for application of phytase in feed, wheat bran and rice bran were superior to silica and calcium carbonate. Thermo stabilization studies indicate 100\% protection of phytase activity in presence of 12\% skim milk at 70A degrees C, which will be useful for its spray drying.

}, keywords = {Agriculture residue, Aspergillus niger, Phytase, phytate degradation, Poultry feed supplement, Submerged fermentation}, issn = {1367-5435}, doi = {10.1007/s10295-008-0506-7}, author = {Shah, P. and Bhavsar, Kavita P. and Soni, S. K. and Khire, Jayant Malhar} } @article { ISI:000267546200006, title = {Structural characterization of azoic dye hosted layered double hydroxides}, journal = {Zeitschrift fur Kristallographie}, volume = {224}, number = {5-6}, year = {2009}, month = {JAN}, pages = {282-286}, publisher = {OLDENBOURG VERLAG}, address = {LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY}, abstract = {

The removal of methyl orange (MO) from an aqueous solution was performed using layered double hydroxides (LDHs) in a move to develop cleaning processes of effluents contaminated with dye molecules. The intercalation of the guest anionic MO species into host M(II)/Al(III) LDHs differing by the nature of the divalent cations (M(II) = Mg, Ni or Zn) was achieved by anionic exchange of the initially NO(3)(-) present in the interlayer space and led to MO/LDH intercalation compounds. The exchange process was followed by XRD and UV-visible absorption spectroscopy at different stages. Almost all MO in solution is uptaken by the Mg-containing LDH in the concentration range corresponding to its anionic exchange capacity (AEC). A lower exchange is reached with the Ni- and Zn-containing LDHs, for which the diffusion of MO is limited due to a larger crystallite size. MO-Zn/Al LDH intercalation compounds exhibit the highest crystallinity and display a remarkable stacking of the layers at maximal MO exchange. This behaviour can be assigned to the higher intrinsic charge density of the host layers in agreement with its lower M(II)/Al(III) molar ratio (Zn(II)/Al(III) approximate to 1.5 whereas Mg(II)/Al(III) and Ni(II)/Al(III) = 2). The maximum amount of MO retained by the different LDHs is higher for Mg-containing LDH, than for Ni- and Zn-containing LDH, reaching respectively 1.15, 0.84 and 0.77 g/g.

}, keywords = {Anionic exchange, Depollution, layered double hydroxides, Methyl orange, X-ray diffraction}, issn = {0044-2968}, doi = {10.1524/zkri.2009.1150}, author = {Mandal, Sujata and Lerner, Dan A. and Marcotte, Nathalie and Tichit, Didier} } @article { ISI:000271542900148, title = {On the structural, magnetic and electrical properties of sol-gel derived nanosized cobalt ferrite}, journal = {Journal of Alloys and Compounds}, volume = {485}, number = {1-2}, year = {2009}, month = {OCT}, pages = {711-717}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Nanoparticles of cobalt ferrite were synthesized by sol gel method. These particles were structurally characterized by using X-Ray Diffraction and Transmission Electron Microscopy, High Resolution Transmission Electron Microscopy, Energy Dispersive Spectrum and Inductively Coupled Plasma Analysis and the results confirmed the formation of spherically shaped nanoparticles of cobalt ferrite having a size lying in the range of 13-14 nm. The as prepared sample was sintered at 800 degrees C and the structural, magnetic and dielectric properties were measured. The dielectric properties were studied and analyzed as a function of temperature and frequency. The ac and dc conductivity studies were carried out to delve into the conduction mechanism. The existing models based on quantum mechanical tunneling were effectively employed to explain the frequency dependent conductivity. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Electronic Transport, Magnetic measurements, Magnetically ordered materials, Nanostructures, Scanning and transmission electron microscopy, Sol-gel synthesis, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2009.06.033}, author = {Gopalan, E. Veena and Joy, Pattayil Alias and Al-Omari, I. A. and Kumar, D. Sakthi and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000264717200003, title = {Structural phase transitions of syndiotactic polystyrene}, journal = {Progress in Polymer Science}, volume = {34}, number = {3}, year = {2009}, month = {MAR}, pages = {280-315}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Syndiotactic polystyrene (sPS) exhibits four crystal modifications (alpha, beta, gamma, and delta), along with intermediate forms with different molecular conformations, as well as different chain-packing structures. The extensive literature on the crystal structures exhibited by sPS is reviewed herein, including, the mechanisms of phenomena such as solvent-induced crystallization, thermally induced crystallization and gelation, and the phase transitions among the various crystalline forms. The latter have been studied by static and dynamic wide-angle and small-angle X-ray scattering, infrared and Raman spectra, and neutron scattering, etc., in addition to computer simulations. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {crystal structure, Gelation, phase transition, polymorphism, Solvent-induced crystallization, Syndiotactic polystyrene}, issn = {0079-6700}, doi = {10.1016/j.progpolymsci.2008.11.002}, author = {Gowd, E. Bhoje and Tashiro, Kohji and Ramesh, C.} } @article { ISI:000271812000007, title = {Studies of anion transport through supported liquid membrane}, journal = {Analytical Letters}, volume = {42}, number = {18}, year = {2009}, month = {NOV}, pages = {PII 916769949}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Transport studies of anions were investigated through cellulose triacetate supported liquid membrane. The experimental variables explored were concentration of anions, sodium hydroxide, and stirring speed. The two-channel membrane system has been explored for the transport of carbonate ions from source to receiving phases. Carbonate ions are selectively transported through the cellulose triacetate supported liquid membrane in comparison with that of nitrate and sulfate. Sulfate and nitrate anions are strongly held in the cellulose triacetate membrane, and then stripped out later. Carbonate ions are loosely bound to the cellulose triacetate membrane and stripped out earlier.

}, keywords = {Anions, cellulose triacetate membrane, solvent effect, stability of supported liquid membrane, two-channel membrane system}, issn = {0003-2719}, doi = {10.1080/00032710903202063}, author = {Gaikwad, Abaji G.} } @article { ISI:000268967200075, title = {Studies on biological reduction of chromate by Streptomyces griseus}, journal = {Journal of Hazardous Materials}, volume = {169}, number = {1-3}, year = {2009}, month = {SEP}, pages = {539-545}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Chromium is a toxic heavy metal used in various industries and leads to environmental pollution due to improper handling. The most toxic form of chromium Cr(VI) can be converted to less toxic Cr(III) by reduction. Among the actinomycetes tested for chromate reduction, thirteen strains reduced Cr(VI) to Cr(III), of which one strain of Streptomyces griseus (NCIM 2020) was most efficient showing complete reduction within 24h. The organism was able to use a number of carbon sources as electron donors. Sulphate, nitrate, chloride and carbonate had no effect on chromate reduction during growth while cations such as Cd, Ni, Co and Cu were inhibitory to varying degrees. Chromate reduction was associated with the bacterial cells and sonication was the best method of cell breakage to release the enzyme. The enzyme was constitutive and did not require presence of chromate during growth for expression of activity. Chromate reduction with cell free extract (CFE) was observed without added NADH. However, addition of NAD(P)H resulted in 2-3-fold increase in activity. Chromate reductase showed optimum activity at 28 degrees C and pH 7 (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Bioreduction, Chromate reductase, Hexavalent chromium, Streptomyces griseus}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2009.03.126}, author = {Poopal, Ashwini C. and Laxman, Ryali Seeta} } @article { ISI:000269792800010, title = {Studies on carbonate ion transport through supported liquid membrane using primene JMT and tributyl phosphate}, journal = {Separation Science and Technology}, volume = {44}, number = {11}, year = {2009}, month = {AUG}, pages = {2626-2644}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A supported liquid membrane system consisting of source, receiving and membrane phases, in which mixed extractants were used in the membrane phase, was explored for the carbonate ion transport from source to receiving through membrane phase. Primary amine Primene JMT and TBP were used as extractants (carriers) in liquid membrane phase. Different experimental variables such as concentration of carbonate ion, carriers, alkali and hydrogen peroxide, stirring speed, etc have been investigated. Primary amine Primene JMT and TBP mixed carriers show the synergistic effect for the transport of carbonate ions through supported liquid membrane system. The stability of the supported liquid membrane system has been explored for 50 h. The pre-concentration of carbonate ions from dilute solutions were also demonstrated. The effect of different alkalis on the permeability coefficient of transport of carbonate ions through supported liquid membrane system has been investigated. The primary amine in combination with TBP shows more effective for the transport of carbonate ions through supported liquid membrane system in comparison with that of secondary and tertiary amines.

}, keywords = {carbonate ion, primary amine primene JMT, supported liquid membrane, synergistic effect, tributyl phosphate (TBP)}, issn = {0149-6395}, doi = {10.1080/01496390902886062}, author = {Gaikwad, Abaji G.} } @article { ISI:000270872200003, title = {Studies on transport of carbonate ions through a supported liquid membrane}, journal = {Chemical and Biochemical Engineering Quarterly}, volume = {23}, number = {3}, year = {2009}, month = {SEP}, pages = {267-275}, publisher = {CROATIAN SOC CHEMICAL ENGINEERING TECHNOLOGY}, address = {BERISLAVICEVA 6, PO BOX 123, HR-10000 ZAGREB, CROATIA}, abstract = {

The transport of carbonate ions through a supported liquid membrane in the presence and absence of carriers has been explored. The liquid membrane used was the combined liquid cation and anion exchangers in toluene immobilized in the porous polypropylene support. The permeability coefficient (P) of carbonate ions transport from the source to receiving through membrane phase has been estimated. The different experimental variables such as the concentration of carbonate ions in source phase, the concentration of Aliquat-336 (tricapryl(methyl)ammonium carbonate) and PC-88A (2-ethyl-hexyl phosphonic acid mono-2-ethylhexyl ester) in membrane phase, alkali metal hydroxide concentration in receiving phase, and the stirring speed of the Source phase and receiving phase have been explored. The stability of liquid membrane phase during the transport of carbonate ions from source phase to receiving phase was tested for 50 h. The enrichment factor for carbonate ion transport from the source to receiving phase was found to be higher at lower concentrations of carbonate ions in comparison with that of at higher concentrations. A model has been developed for the effective transport of carbonate ions through the cross section area of liquid membrane phase from source to receiving phase.

}, keywords = {alkali metal hydroxide, carbonate ions, liquid anion and cation exchangers, permeability coefficient, supported liquid membrane}, issn = {0352-9568}, author = {Gaikwad, Abaji G.} } @article { ISI:000264490200027, title = {Studies toward the total synthesis of carba analogue of motif C OF M. TB cell wall AG complex}, journal = {Heterocycles}, volume = {77}, number = {2}, year = {2009}, month = {FEB}, pages = {909-925}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Herein we describe the synthesis of the carba analogue of motif C of arabinogalactan complex present in M tuberculosis cell wall. Pd(0) catalyzed allylic alkylation and Fraser-Reid{\textquoteright}s glycosidation are the two key reactions that were employed for the synthesis of central glycosyl accepter unit and the glycosylation respectively.

}, keywords = {Allylic Alkylation, desymmetrization, Fraser-Reid{\textquoteright}s Glycosidation, M. Tb Ag Complex, Mycobacterium tuberculosis}, issn = {0385-5414}, doi = {10.3987/COM-08-S(F)59}, author = {Gurjar, Mukund K. and Reddy, Challa Nageswar and Kalkote, Uttam R. and Chorghade, Mukund S.} } @article {43243, title = {Study of cumulant approximations to n-electron valence multireference perturbation theory}, journal = {Journal of Chemical Physics}, volume = {130}, year = {2009}, month = {MAY}, pages = {Article Number: 194107}, abstract = {We investigate the possibility of reducing the complexity of multireference perturbation theory through cumulant based approximations to the high-order density matrices that appear in such theories. Our test cases show that while the cumulant approximated forms are degraded in accuracy relative to the parent theory and exhibit intruder state problems that must be carefully handled, they may provide a route to a simple estimation of dynamic correlation when the parent perturbation theory is infeasible. Nonetheless, further work is clearly needed on better approximations to the denominators in the perturbation theory.}, doi = {10.1063/1.3132922}, author = {Zgid, Dominika and Ghosh, Debashree and Neuscamman, Eric and Chan, Garnet Kin-Lic} } @article { ISI:000270275800002, title = {Study of dielectric behavior in PVDF/clay nanocomposites}, journal = {E-Polymers}, year = {2009}, month = {SEP}, pages = {112}, publisher = {EUROPEAN POLYMER FEDERATION}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {

A high dielectric permittivity nanocomposite based on poly( vinylidene fluoride) (PVDF) and organically modified clay is reported. The present work aims to study the effect of clay on dielectric behavior of PVDF. The dielectric permittivity study shows a remarkable enhancement in the permittivity of nanocomposites in the low frequency region. The obtained permittivity values fits quite well to the prediction of dielectric permittivity from Vo-Shi model, which takes contribution of interface to permittivity into account. This enhanced permittivity in nanocomposites is attributed to the presence of interfacial polarization. The interface effect is further studied with cole-cole plot analysis. The dielectric loss study of pristine PVDF shows two relaxations associated with segmental (glass transition relaxation) and crystalline chain relaxation. However in the PVDF/Clay nanocomposites crystalline relaxation peak disappears which is attributed to the formation of the beta phase in PVDF/clay nanocomposites.

}, issn = {1618-7229}, author = {Chanmal, Chetan and Jog, Jyoti Prakash} } @article { ISI:000208013800005, title = {Superparamagnetic nanocomposite of magnetite and activated carbon for removal of dyes from waste water}, journal = {Nanoscience and Nanotechnology Letters}, volume = {1}, number = {3}, year = {2009}, month = {DEC}, pages = {171-175}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Nanocomposite of superparamagnetic Fe(3)O(4) and activated carbon (AC) is synthesized at room temperature and characterized by various techniques. Magnetic measurements indicated that the Fe(3)O(4) nanoparticles are isolated by the AC particles. The magnetic fluid obtained by dispersion of the nanocomposite in water is found to be relatively stable. The dispersion is found to be very efficient for the removal of methylene blue dye from water. Thus, the nanocomposite is highly suitable for removing dissolved dyes and other contaminants from waste water by a simple magnetic separation process after adsorption on AC.

}, keywords = {Magnetic Separation, Nanocomposite, Superparamagnetism, Water Purification}, issn = {1941-4900}, doi = {10.1166/nnl.2009.1031}, author = {Thakuria, Pankaj and Joy, Pattayil Alias} } @article { ISI:000268042800012, title = {Support modification to improve the sulphur tolerance of Ag/Al2O3 for SCR of NOx with propene under lean-burn conditions}, journal = {Applied Catalysis B-Environmental}, volume = {90}, number = {3-4}, year = {2009}, month = {AUG}, pages = {416-425}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Ag/Al2O3 catalysts with 1 wt\% SiO2 or TiO2 doping in alumina support have been prepared by wet impregnation method and tested for sulphur tolerance during the selective catalytic reduction (SCR) of NOx using propene under lean conditions, Ag/Al2O3 showed 44\% NOx conversion at 623 K, which was drastically reduced to 21\% when exposed to 20 ppm SO2. When Al2O3 support in Ag/Al2O3 Was doped with 1 wt\% SiO2 or TiO2 the NOx conversion remained constant in presence of SO2 showing the improved sulphur tolerance of these catalysts. Subsequent water addition does not induce significant deactivation. On the contrary, a slight promotional effect on the activity of NO conversion to nitrogen is observed after Si and Ti incorporation. FTIR study showed the sulphation of silver and aluminum sites of Ag/Al2O3 catalysts resulting in the decrease in the formation of reactive intermediate species such as -NCO, which in turn decreases NOx conversion to N-2. In the case of Ag/Al2O3 doped with SiO2 or TiO2, formation of silver sulphate and aluminum sulphate was drastically reduced, which was evident in FTIR resulting in remarkable improvement in the sulphur tolerance of Ag/Al2O3 catalyst. These catalysts before and after the reaction have been characterized with various techniques (XRD, BET surface area, transmittance FTIR and pyridine adsorption) for physico-chemical properties. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Ag/Al2O3, Aluminum sulphate, DRIFTS, Selective catalytic reduction, Silver sulphate, SiO2, Sulphur tolerance, TiO2}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2009.04.001}, author = {Jagtap, Neelam and Shubhangi B. Umbarkar and Miquel, Pierre and Granger, Pascal and Dongare, Mohan K.} } @article { ISI:000269259100007, title = {Supported nano-gold catalysts for epoxidation of styrene and oxidation of benzyl alcohol to benzaldehyde}, journal = {Topics in Catalysis}, volume = {52}, number = {12}, year = {2009}, month = {NOV}, pages = {1677-1687}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Nano-gold particles supported on different alkaline earth oxides (viz. MgO, CaO, BaO and SrO), Gr. IIIa metal oxides (viz. Al(2)O(3), Ga(2)O(3), In(2)O(3) and Tl(2)O(3)), transition metal oxides (viz. TiO(2), Cr(2)O(3), MnO(2), Fe(2)O(3), CoO(x), NiO, CuO, ZnO, Y(2)O(3) and ZrO(2)), rare earth metal oxides (viz. La(2)O(3), Ce(2)O(3), Nd(2)O(3), Sm(2)O(3), Eu(2)O(3), Tb(2)O(3), Er(2)O(3) and Yb(2)O(3)) and U(3)O(8) [all prepared by depositing gold on corresponding metal oxide support by deposition precipitation (DP) and/or homogeneous deposition precipitation (HDP) method] were evaluated for their catalytic performance in the liquid phase epoxidation of styrene by tert-butyl hydroperoxide (TBHP) to styrene oxide and also in the solvent-free benzyl alcohol-to-benzaldehyde oxidation (by molecular oxygen or TBHP) reactions. For the epoxidation, the catalytic performance (styrene oxide yield) of the most promising nano-gold catalysts prepared by the HDP method was in the following order: Au/MgO \> Au/Tl(2)O(3) \> Au/Yb(2)O(3) \> Au/Tb(2)O(3) \> Au/CaO (or TiO(2)). However, for the oxidation of benzyl alcohol to benzaldehyde by molecular oxygen, the order of choice for the most promising catalysts (based on benzaldehyde yield) was Au/U(3)O(8) \> Au/Al(2)O(3) \> Au/ZrO(2) \> Au/MgO. Whereas, when TBHP was used as an oxidizing agent for the benzyl alcohol oxidation, the order of choice for the most promising catalysts was Au/U(3)O(8) \> Au/MgO \> Au/TiO(2) \> Au/ZrO(2) \> Au/Al(2)O(3). The catalytic performance of a particular supported nano-gold catalyst was thus found to depend on the reaction catalysed by them. Moreover, it is strongly influenced by a number of catalyst parameters, such as the metal oxide support, the method of gold depositon on the support, the gold loading and also on the catalyst calcination temperature. Nano-gold particles-support interactions seem to play an important role in controlling the deposition of gold ( amount of gold deposited and size and morphology of gold particles), formation of different surface gold species (Au(0), Au(1+) and Au(3+)) and electronic properties of gold particles and, consequently, control the catalytic performance (both the activity and selectivity) of the supported nano-gold catalysts in the reactions. The nano-gold catalysts prepared by the HDP method showed much better catalytic performance than those prepared by the DP, coprecipitation or impregnation method; in general, the HDP method provided supported gold catalysts with much higher gold loading and/or smaller size gold particles than that achieved by the DP and other methods.

}, keywords = {Benzaldehyde, Benzyl alcohol, epoxidation, Metal oxide supports, Nano-gold catalysts, Oxidation, styrene, Styrene oxide}, issn = {1022-5528}, doi = {10.1007/s11244-009-9306-1}, author = {Choudhary, Vasant R. and Dumbre, Deepa K.} } @article { ISI:000265030500015, title = {Supramolecular ring banded prototype liquid crystalline oligo(phenylenevinylene)}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {15}, year = {2009}, month = {APR}, pages = {5083-5091}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report a new ring banded supramolecular structure in thermotropic liquid crystalline oligo(phenylenevinylene) (OPV) via a melt crystallization process. A series of structurally different OPV molecules were synthesized using tricyclodecanemethanol (TCD) as a bulky pendant unit to trace ring banded morphology. Among all, an OPV molecule with rigid bis-TCD units in the central core and flexible dodecyl chains at the outer phenyl rings (BTCD-BDD-OPV) was found to show ring banded morphologies, which is a first of its kind in T-conjugated materials. BTCD-BDD-OPV experiences strong aromatic pi-pi interactions in both film and liquid crystalline (LC) frozen stage. The pi-induced aggregation leads to lamellar self-assembly of OPV-mesogens that subsequently undergo helical crystal growth, thereby producing dark and bright ring banded patterns. Variable temperature X-ray diffraction analysis revealed the existence of three peaks at 27.07, 13.97, and 8.90 angstrom corresponding to 001, 002, and 003 fundamental layers, respectively, thus confirming the lamellar self-assembly of OPV-mesogens. Electron microscopic (SEM and TEM) analysis of the LC frozen sample showed images confirming helical microcrystalline assembly and providing direct evidence for the self-organization mechanism. Detailed photophysical experiments such as excitation, emission, and timeresolved fluorescence decay studies indicated that BTCD-BDD-OPV has very strong pi-pi interaction in both film and LC frozen stage, which was found to be main driving force for the formation of supra-ring structure. Upon illumination with light, the OPV chromophores in the LC phase were excited and the color of the samples turned into luminescent green ring bands.

}, issn = {1520-6106}, doi = {10.1021/jp809994t}, author = {Amrutha, S. R. and Jayakannan, M.} } @article { ISI:000264024200006, title = {Supramolecular synthesis of some molecular adducts of 4,4 {\textquoteleft}-bipyridine N,N {\textquoteleft}-dioxide}, journal = {New Journal of Chemistry}, volume = {33}, number = {1}, year = {2009}, month = {OCT}, pages = {57-63}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Molecular adducts (1a-1e) of 4,4{\textquoteright}-bipyridine N,N{\textquoteright}-dioxide, 1, respectively with cyanuric acid, trithiocyanuric acid, 1,3,5-trihydroxybenzene ( phloroglucinol), 1,3-dihydroxybenzene ( resorcinol) and 1,2,4,5-benzenetetracarboxylic acid have been reported. The major interactions observed in the structures 1a-1e are N-H center dot center dot center dot O, N-H center dot center dot center dot S, O-H center dot center dot center dot O and C-H center dot center dot center dot O, in the form of homomeric and heteromeric patterns of the constituents, either as a single or cyclic hydrogen-bonded motifs. While in the adduct 1a, both homomeric and heteromeric units of both the constituents were observed, no heteromeric interactions were observed in 1b and 1c. In addition, in 1b, homomeric aggregation of molecules of 1 occurred in association with water molecules. However, while heteromeric interactions prevail between the constituents in 1d and 1e, only one of the co-crystallizing species gave homomeric interactions (4,4{\textquoteright}-bipyridine N,N{\textquoteright}-dioxide in 1d; 1,2,4,5-benzenetetracarboxylic acid in 1e). Further, in either type of the patterns, the cyclic motifs are formed as a pair-wise hydrogen bonds comprising of strong and weak hydrogen bonds (N-H center dot center dot center dot O/C-H center dot center dot center dot O or O-H center dot center dot center dot O/C-H center dot center dot center dot O). In three-dimensions, the ensembles of molecules yield planar sheets, ladders and pseudorotaxane type assemblies.

}, issn = {1144-0546}, doi = {10.1039/b807853j}, author = {Arora, Kapildev K. and Talwelkar, Mayura S. and Pedireddi, V. R.} } @article { ISI:000267784200012, title = {Susceptibility of aedes aegypti and culex quinquefasciatus larvae to gedunin-related limonoids}, journal = {Chemistry \& Biodiversity}, volume = {6}, number = {6}, year = {2009}, month = {JUN}, pages = {897-902}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

The major non-azadirachtin limonoids such as gedunin (1), epoxyazadiradione (3), nimbocinol (4), and nimolicinol (5) from Azadirachta indica A. Juss ({\textquoteright}neem{\textquoteright}) and their derivatives were evaluated for their toxic action against fourth instar larvae of Aedes aegypti L. and Culex quinquefasciatus SAY. Gedunin exhibited 100\% toxic action against both the mosquito larvae at 50 and 10 ppm. Epoxyazadiradione and epoxynimolicinol also showed significant toxicities (\>= 50\%) against larvae of both mosquito species at 50 ppm. These neem limonoids can have benefits in mosquito-control programs.

}, issn = {1612-1872}, author = {Gurulingappa, Hallur and Tare, Vrushali and Pawar, Pushpa and Tungikar, Vijay and Jorapur, Yogesh R. and Madhavi, Sriram and Bhat, Sujata V.} } @article { ISI:000271136800002, title = {Sustainable green catalysis by supported metal nanoparticles}, journal = {Chemical Record}, volume = {9}, number = {4}, year = {2009}, month = {AUG}, pages = {224-235}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The recent progress of sustainable green catalysis by supported metal nanoparticles is described. The template synthesis of metal nanoparticles in ordered porous materials is studied for the rational design of heterogeneous catalysts capable of high activity and selectivity. The application of these materials in green catalytic processes results in a unique activity and selectivity arising from the concerted effect of metal nanoparticles and supports. The high catalytic performances of Pt nanoparticles in mesoporous silica is reported Supported metal catalysts have also been applied to biomass conversion by heterogeneous catalysis Additionally, the degradation of cellulose by supported metal catalysts, in which bifunctional catalysis of acid and metal plays the key role for the hydrolysis and reduction of cellulose, is also reported. (C) 2009 The Japan Chemical Journal Forum and Wiley Periodicals, Inc. Chem Rec 9: 224-235: 2009: Published online in Wiley InterScience (www.intersciencewiley.corn) DOI 10.1002/tcr.200900004

}, keywords = {Biomass, cellulose, CO oxidation, Mesoporous silica, supported metal catalyst}, issn = {1527-8999}, doi = {10.1002/tcr.200900004}, author = {Fukuoka, Atsushi and Dhepe, Paresh Laxmikant} } @article {42459, title = {Switching the electron-donor properties of n-heterocyclic carbenes by a facile deprotonation strategy}, journal = {Chemistry an Asian Journal}, volume = {9}, year = {2009}, month = {DEC}, pages = {1786{\textendash}1789}, abstract = {

Flip the switch! The facile and distinct variation of the electronic properties of an N-heterocyclic carbene (NHC) ligand is reported. In this process, a simple deprotonation/protonation strategy can render the NHC to be an electron-poor or an electron-rich NHC ligand: one ligand, two electronic natures.

}, keywords = {carbenes; electronic properties; enolates; heterocycles; ligand design}, doi = {10.1002/asia.200900410}, author = {Biju, Akkattu T. and Hirano, Keiichi and Frohlich, Roland and Glorius, Frank} } @article { ISI:000264490200023, title = {Syntheis of new chiral 5,6,7,8-tetrahydrotetrazolo[1,5-a]pyrazines from alpha-amino acid derivatives following {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry}, journal = {Heterocycles}, volume = {77}, number = {2}, year = {2009}, month = {FEB}, pages = {865-872}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient and practical synthesis of new chiral fused tetrazoles have been synthesized following [3+2] cycloaddition reaction starting from alpha-amino acid derivatives.

}, keywords = {Amino acid, Click chemistry, Hypertension, Nitrogen Rich System, Tetrazole}, issn = {0385-5414}, doi = {10.3987/COM-08-S(F)121}, author = {Mohapatra, Debendra K. and Maity, Pradip K. and Ghorpade, Ravindra V. and Gurjar, Mukund K.} } @article { ISI:000262707000040, title = {Synthesis and antifungal activity of 1,2,3-triazole containing fluconazole analogues}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {19}, number = {3}, year = {2009}, month = {FEB}, pages = {759-763}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Fluconazole based novel mimics containing 1,2,3-triazole were designed and synthesized as antifungal agents. Their antifungal activities were evaluated in vitro by measuring the minimal inhibitory concentrations (MICs). Compounds 12, 15, and 16 were found to be more potent against Candida fungal pathogens than control drugs fluconazole and amphotericin B. The studies presented here provide structural modi. cation of fluconazole to give 1,2,3-trazole containing molecules. Furthermore, these molecules were evaluated in vivo against Candida albicans intravenous challenge in Swiss mice and antiproliferative activities were tested against human hepatocellular carcinoma Hep3B and human epithelial carcinoma A431. It was found that compound 12 resulted in 97.4\% reduction in fungal load in mice and did not show any profound proliferative effect at lower dose (0.001 mg/ml). (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2, 3-Triazole, Antifungal agent, bile acid, Conjugates, Fluconazole}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.12.026}, author = {Aher, Nilkanth G. and Pore, Vandana S. and Mishra, Nripendra N. and Kumar, Awanit and Shukla, Praveen K. and Sharma, Aanchal and Bhat, Manoj K.} } @article { ISI:000271542900165, title = {Synthesis and characterization of CoCrxFe2-xO4 nanoparticles}, journal = {Journal of Alloys and Compounds}, volume = {485}, number = {1-2}, year = {2009}, month = {OCT}, pages = {798-801}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Spinel-phase nanocrystalline CoCrxFe2-xO4 powders (0.0 \<= x \<= 2.0) were synthesized by citrate-gel precursor method. The samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM). transmission electron microscopy (TEM) and infra-red spectroscopy (FT-IR). The XRD and selected-area electron diffraction (SAED) patterns indicated that the synthesized nanoparticles have single-phase spinet structure without the presence of any other impurities. The changes in electrical and magnetic properties of different stiochiometric compositions have also been investigated. It is seen that with increase in chromium contents, the measured magnetic hysteresis loops become narrow with decreasing trend in saturation magnetization. Electrical resistivity indicated that all the compounds are semiconducting nature. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Magnetic measurements, Sintering, transmission electron microscopy, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2009.06.087}, author = {Hankare, P. P. and Sankpal, U. B. and Patil, R. P. and Mulla, Imtiaz S. and Lokhande, P. D. and Gajbhiye, N. S.} } @article { ISI:000263932600008, title = {Synthesis and characterization of high-surface-area Ag2O-doped SnO2 nanomaterial}, journal = {Philosophical Magazine Letters}, volume = {89}, number = {3}, year = {2009}, month = {MAR}, pages = {PII 909257359}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Nanosized tin dioxide-based powders containing silver and palladium oxides have been prepared by coprecipitation reaction. XRD, TEM, and XPS analysis were carried out for investigation of crystalline structure and surface morphology. The best reactive conditions were determined, such as the concentration of the reactants, pH value, surfactants, reaction temperature, and time. The material obtained is nanocrystalline, having a particle size in the range of 5.21-7.42 nm. Effect of doped-Ag2O on the crystal size of the nanoparticles and the influence of the presence of a second dopant (Pd) on the Ag2O/SnO2 matrix was discussed.

}, keywords = {Ag2O:SnO2, Nanomaterials, XPS}, issn = {0950-0839}, doi = {10.1080/09500830902758651}, author = {Gambhire, A. B. and Lande, Machhindra K. and Kalokhe, S. B. and Shirsat, M. D. and Patil, K. R. and Gholap, Ramkrishna S. and Arbad, B. R.} } @article { ISI:000263629200030, title = {Synthesis and characterization of new polyimides containing pendent pentadecyl chains}, journal = {European Polymer Journal}, volume = {45}, number = {2}, year = {2009}, month = {FEB}, pages = {582-589}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new unsymmetrical aromatic diamine, viz., 4-pentadecylbenzene-1,3-diamine was synthesized through a series of reaction steps starting from 3-pentadecylphenol. 4-Pentadecylbenzene-1,3-diamine was employed to synthesize a series of new polyimides by one-step polycondensation in m-cresol with four commercially available aromatic dianhydrides. viz., 3,3{\textquoteright},4,4{\textquoteright}-biphenyltetracarboxylic dianhydride (BPDA), 3,3{\textquoteright},4,4{\textquoteright}-benzophenone-tetracarboxylic dianhydride (BTDA), 4,4{\textquoteright}-oxydiphthalic anhydride (ODPA) and 4,4{\textquoteright}-(hexafluoroisopropylidene)diphthalic anhydride (6-FDA). Inherent viscosities of resulting polyimides were in the range 0.33-0.67 dL/g and number average molecular weights were in the range 14,700-52,200 (GPC, polystyrene standard). Polyimides containing pendent pentadecyl chains were soluble in organic solvents such as chloroform, m-cresol, N,N-dimethylacetamide (DMAc), 1-methyl-2-pyrrolidinone (NMP), pyridine and nitrobenzene. Strong and flexible films of polyimides could be cast from their chloroform solutions. Polyimides exhibited glass transition temperature in the range 158-206 degrees C. The temperature at 10\% wt. loss (T(10)). determined by TGA in nitrogen atmosphere, of polyimides was in the range 470-480 degrees C indicating good thermal stability. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Cashew nut shell liquid, Glass transition temperature, Pendant pentadecyl chain, polyimides}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2008.11.013}, author = {Sadavarte, Nilakshi V. and Halhalli, Mahadeo R. and Avadhani, C. V. and Wadgaonkar, Prakash P.} } @article { ISI:000267994500002, title = {Synthesis and characterization of novel schiff base polyurethanes}, journal = {Journal of Applied Polymer Science}, volume = {113}, number = {5}, year = {2009}, month = {SEP}, pages = {2747-2754}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Eight different types of novel polyurethanes (PUs) were synthesized through the polyaddition reaction of 4,4{\textquoteright}-(ethane-1,2-diylidenedinitrilo)diphenol and 4,4{\textquoteright}(pentane-1,5-diylidenedinitrilo)diphenol with four different diisocyanates: 4,4{\textquoteright}-diphenylmethane diisocyanate, toluene 2,4-diisocyanate, isophorone diisocyanate, and hexamethylene diisocyanate. The resulting PUs were soluble in polar, aprotic solvents. Structures of the diols and PUs were established with Ultraviolet-visible, fluorescence, Fourier transform infrared (FTIR), (1)H-NMR, and (13)C-NMR spectroscopy data. FTIR and NMR spectral data indicated the disappearance of both hydroxyl and isocyanate groups in the PUs. The thermal properties were investigated with thermogravimetry and differential scanning calorimetry. The weight losses, glass transitions, onset temperatures, and crystalline melting temperatures were measured. All the PUs exhibited semicrystalline and amorphous morphologies, as indicated by X-ray diffraction. (C) 2009 Wiley Periodicals, Inc. J Appl Polym Sci 113: 2747-2754, 2009

}, keywords = {amorphous, Morphology, polyurethanes, synthesis, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.28257}, author = {Raghu, A. V. and Gadaginamath, G. S. and Jeong, Han Mo and Mathew, Nevin T. and Halligudi, Shivaraj B. and Aminabhavi, Tejraj M.} } @article { ISI:000269257800009, title = {Synthesis and conformational study of chiral oxepines: the baylis-hillman reaction and RCM approach with sugar aldehyde}, journal = {Journal of Organic Chemistry}, volume = {74}, number = {17}, year = {2009}, month = {SEP}, pages = {6486-6494}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The Baylis-Hillman reaction of 3-O-allyl-alpha-D-xylo-pentodialdo-1,4-furanose 3 afforded a diastereomeric mixture of D-gluco- and L-ido-configured alpha-methylene-beta-hydroxy esters 4a and 4b, respectively, in a ratio of 2:3. Reduction of the ester functionality in 4a/4b gave alcohols 5a/5b. The diene thus formed in 5a/5b was subjected to ring-closing metathesis (Grubbs{\textquoteright} second-generation catalyst) to afford oxa-bicyclic ring system 6a/6b in high yield. Further manipulation of the aectonide functionality in 6a and 6b afforded new polyhydroxylated oxepines 1a/2a and 1b/2b, respectively. The (1)H NMR of oxepines 1a and 1b in D(2)O showed doubling of signals indicating their existence in two different rotamers/conformers. This fact was substantiated by calculating energetics of 1 and 2 conformers using the density functional theory and correlating the calculated (1)H NMR chemical shift pattern with that of the experimental spectra.

}, issn = {0022-3263}, doi = {10.1021/jo900660q}, author = {Jadhav, Vrushali H. and Bande, Omprakash P. and Pinjari, Rahul V. and Gejji, Shridhar P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000270106700015, title = {Synthesis and in vitro study of 14-aryl-14H-dibenzo[a.j]xanthenes as cytotoxic agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {19}, number = {19}, year = {2009}, month = {OCT}, pages = {5590-5593}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple and expedient method for the synthesis of a series of 14-aryl-14H-dibenzo[a.j]xanthenes is described through a one-pot condensation of beta-naphthol with aryl aldehydes catalysed by TaCl(5) under solvent-free conventional heating. The major advantages of the present method are: high yields, less reaction time, solvent-free condition and easy purification of the products. The synthesized 14-aryl-14H-dibenzo[a.j]xanthenes were evaluated against a panel of six human cancer lines of different tissues. Synthesized compound 30 showed IC(50) of 37.9 and 41.3 mu M against Colo-205 and 502713, respectively, whereas 3g showed IC(50) of 41.9 mu M against Colo-205. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Aldehyde, beta-Naphthol, condensation, Cytotoxicity, One-pot reaction, Solvent-free, Tantalum(V) chloride, Xanthenes}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2009.08.033}, author = {Bhattacharya, Asish K. and Rana, Kalpeshkumar C. and Mujahid, Mohammad and Sehar, Irum and Saxena, Ajit K.} } @article { ISI:000272522300034, title = {Synthesis and properties of new polybenzoxazines containing (substituted) cyclohexyl moieties}, journal = {Polymers for Advanced Technologies}, volume = {20}, number = {12}, year = {2009}, month = {DEC}, pages = {1107-1113}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

A series of new polybenzoxazines were synthesized based on diphenols containing (substituted) cyclohexyl moiety and were characterized by FT-IR, (1)H-NMR, and (13)C-NMR spectroscopy. These new benzoxazine monomers exhibited better processability with lower peak cure temperature and a wide cure controllable window (CCW) as manifested in differential scanning calorimetric analysis. The cure analysis was performed by FT-IR spectroscopy. Glass transition temperature of new polybenzoxazines varied from 170 to 205 degrees C. The cyclohexyl bridge groups facilitated ring opening, resulting in polymer with improved thermal stability in comparison to bisphenol A-based benzoxazine as assessed by the various thermal analyses. The water contact angles of polybenzoxazines containing (substituted) cyclohexyl moieties were higher than that of bisphenol A-based polybenzoxazine, implying their higher hydrophobicity. Copyright (C) 2009 John Wiley \& Sons, Ltd.

}, keywords = {Hydrophobicity, polybenzoxazines, thermally stable polymers}, issn = {1042-7147}, doi = {10.1002/pat.1370}, author = {Kumar, K. S. Santhosh and Nair, C. P. Reghunadhan and Ninan, K. N. and Kulkarni, A. D. and Wadgaonkar, P. P.} } @article { ISI:000263163200021, title = {Synthesis and self-organization properties of copolyurethanes based on perylenediimide and naphthalenediimide units}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {47}, number = {4}, year = {2009}, month = {FEB}, pages = {1224-1235}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A series of perylene and naphthalene diimide-containing random copolyurethanes with different ratios of perylene/naphthalene diimide content was synthesized and characterized. Copolymerization improved the solubility of these rigid aromatic diimides, and the copolymers were soluble in common organic solvents like chloroform, tetrahydrofuran, and so forth. The absorption spectra of perylene-based copolymers showed a red-shifted peak at a wavelength of 557 nm corresponding to J-type aggregates. For naphthalene copolymers, the quenching of fluorescence at higher naphthalene incorporation suggested the presence of aggregates because of the extensive pi-pi stacking of the aromatic core. FTIR spectroscopic analysis showed that the hydrogen bonding tendency of the polymer decreased with increase in perylene/naphthalene incorporation. The fluorescence spectra of the perylene polymers were exactly a mirror image of the absorption spectra. The fluorescence spectra of the naphthalene polymers at higher naphthalene incorporation showed a red-shifted excimer like emission peak, which was assigned as static excimers based on their excitation spectra. These polymers could exhibit two types of secondary interaction modes, namely, hydrogen bonding (via urethane linkage) and pi-stacking (via aromatic perylene or naphthalene units) thus highlighting the importance of polymer design in inducing self-organization at both low and high incorporation of the rigid bisimide moieties. (C) 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polyrn Chem 47: 1224-1235, 2009

}, keywords = {fluorescence, hydrogen bonding, naphthalene diimide polymers, polyurethane copolymer, self-organization, structure-property relations}, issn = {0887-624X}, doi = {10.1002/pola.23233}, author = {Jancy, B. and Asha, S. K.} } @article { ISI:000271108500027, title = {Synthesis and thermal properties of soluble silicon containing phenylated aromatic-aliphatic polyamides}, journal = {Journal of Thermal Analysis and Calorimetry}, volume = {98}, number = {2}, year = {2009}, month = {NOV}, pages = {539-545}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Aromatic polyamides find many applications in diverse and critical areas due to their high thermal stability coupled with high mechanical properties. However most of such aramides are difficult to fabricate because of their limited solubility and high melting temperature. Improvements in processability have been reported by incorporating bulky pendant groups and aliphatic spacer groups. Similarly to improve the solubility of polymers approaches of incorporating silicon in main polymer chain and co-polymerization techniques were useful. We report the synthesis and characterization of a series of phenylated silicon containing aromatic-aliphatic polyamides from a mixture of 2, 5-bis (4-carboxy methylene phenyl)-3, 4-diphenyl thiophene (CMPDT) and bis-(4-carboxy phenyl) dimethyl silane (BCPDS) in various mole proportions, with commercial aromatic diamine. Thus a series of novel co-polyamides having pendant phenyl groups, methylene spacer and silicon moiety was prepared by judicious combination of (CMPDT); BCPDS and aromatic diamine; bis-(4-aminophenyl) ether (ODA), by direct polycondensation using Yamazaki{\textquoteright}s phosphorylation method. These high molecular mass polyamides were obtained in high (89-98\%) yields and had viscosities in the range of 0.23-0.57 dL/g in DMAc. Polyamides showed improved solubility in polar aprotic solvents, like NMP, DMAc, DMSO and DMF; had high thermal stability; with no mass loss below 335 A degrees C.

}, keywords = {2, 4-diphenyl thiophene, 5-bis (4-carboxy methylene phenyl)-3, bis-(4-amino phenyl) ether, bis-(4-carboxy phenyl) dimethyl silane, Copolyamides, solubility, thermal stability}, issn = {1388-6150}, doi = {10.1007/s10973-009-0286-y}, author = {Ghanwat, A. A. and Sayyed, M. M. and Wadgaonkar, P. P. and Maldar, Noormahamad N.} } @article { ISI:000265237700014, title = {Synthesis, characterization and catalytic performance of Sn-MCM-48 in solvent-free Mukaiyama-type aldol condensation reactions}, journal = {Applied Catalysis A-General}, volume = {358}, number = {1}, year = {2009}, month = {APR}, pages = {88-94}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The influence of various synthesis variables on the physico-chemical properties of mesoporous stannosilicate molecular sieves with MCM-48 structure (Sn-MCM-48) has been investigated. Sn-MCM48 has been used as a new heterogeneous catalyst in solvent-free Mukaiyama-type aldol reactions. Invariably, the beta-hydroxy ester selectivity was found to be 100\% irrespective of the conversion level. The product yield was found to increase, to reach a maximum (70\%), and then to decrease with the increase in tin content. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Characterization, heterogeneous catalysis, Hydrothermal synthesis, Mesoporous molecular sieves, Mukaiyama-aldol condensation, Sn-MCM-48}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.02.001}, author = {Taralkar, U. S. and Kalita, Pranjal and Kumar, Rajiv and Joshi, P. N.} } @article { ISI:000264232900041, title = {Synthesis, characterization and constitutional isomerism study of new aromatic polyamides containing pendant groups based on asymmetrically substituted meta-phenylene diamines}, journal = {European Polymer Journal}, volume = {45}, number = {3}, year = {2009}, month = {MAR}, pages = {953-959}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Four new aromatic polyamides containing pendant groups were synthesized by low temperature interfacial polycondensation of two asymmetrically substituted diamine monomers, namely, 4-[4-(1-methyl-1-phenylethyl) phenoxyl-1,3-diamino benzene and 4-[4-[4-methylphenyl) sulphonyl]phenoxy)-1,3-diamino benzene with two aromatic diacid chlorides, namely isophthaloyl chloride and tereplithaloyl chloride. Inherent viscosities of polyamides were in the range 0.64-0.72 dL/g indicating formation of medium molecular weight polymers. The weight average molecular weights and number average molecular weights, determined by gel permeation chromatography (polystyrene standard), were in the range 54,500-65,000 and 19,750-27,000, respectively. The constitutional isomerism of synthesized polyamides was investigated by (1)H and (13)C NMR spectroscopy, where as the constitutional order was calculated from (1)H NMR spectroscopy and was found to be in the range 0.35-0.37. Polyamides containing pendant groups were essentially amorphous and were soluble in polar aprotic solvents such as N, N-dimethyl acetamide, N-methyl-2-pyrrolidone, N, N-dimethyl formamide and dimethyl sulfoxide. Polyamides exhibited glass-transition temperature in the range 237-254 degrees C. The initial decomposition temperature, determined by TGA in nitrogen atmosphere, of polyamides was in the range 371-410 degrees C indicating their good thermal stability. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Asymmetrically substituted diamines, Constitutional isomerism, interfacial polycondensation, Pendant groups}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2008.11.034}, author = {Pal, Ravindra R. and Patil, Prashant S. and Salunkhe, Manikrao M. and Maldar, Noormahamad N. and Wadgaonkar, Prakash P.} } @article { ISI:000265911700183, title = {Synthesis, characterization and effect of sintering temperature on magnetic properties of MgNi ferrite prepared by co-precipitation method}, journal = {Journal of Alloys and Compounds}, volume = {475}, number = {1-2}, year = {2009}, month = {MAY}, pages = {926-929}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Mixed MgNi ferrites with composition Mg(0.5)Ni(0.5)Fe(2)O(4) where the mole fraction for Ni (x = 0, 0.25, 0.75, 0.5 and 1) were prepared by following co-precipitation method at temperature 110 degrees C and maintaining a pH of solution equal to 9.5 enable to achieve large particle surface area. The resultant materials obtained in powder form were sintered at different temperatures. Thermogravimetry (TGA), X-ray diffraction (XRD) and scanning electron microscopy, technique were applied to obtain structural parameters. The XRD patterns reveal the presence of(311) peak as the most intense one. The intensity of XRD peak increases with increase in sintering temperature. The saturation magnetization values showed increasing trend with increase in sintering temperature from 2.37 to 29.76 emu/g. These results along with the analysis of SEM micrographs are interpreted in terms of increase in particle grain size with increase in sintering temperature. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, Ferrites, FT-IR, scanning electron microscopy, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2008.08.082}, author = {Hankare, P. P. and Jadhav, S. D. and Sankpal, U. B. and Chavan, Santosh S. and Waghmare, K. J. and Chougule, B. K.} } @article { ISI:000264463600013, title = {Synthesis of Ag-Pt alloy nanoparticles in aqueous bovine serum albumin foam and their cytocompatibility against human gingival fibroblasts}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {69}, number = {2}, year = {2009}, month = {MAR}, pages = {239-245}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Foams of bovine serum albumin (BSA) have been utilized for synthesizing in situ protein capped Ag-Pt alloy nanoparticles. The in vitro cytotoxicity and the rate of proliferation of human gingival fibroblasts (HGFs) in presence of the above synthesized alloy nanoparticles is investigated. Expression profile of protein involved in detoxification, i.e. metallotheonein (MT) were assayed by ELISA and expression of mRNA transcripts by reverse transcription polymerase chain reaction (RT-PCR). Cytotoxicity results suggested that protein capped nano-alloys might be promising candidates for implants and prosthetic material. RT-PCR and ELISA confirmed the expression of MT. in cells treated with the alloy nanoparticles. Morphology variation studied by SEM also confirms that cells treated with alloy nanoparticles present an intact morphology. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Alloy nanoparticles, Biocompatibility, ELISA, Human gingival fibroblasts, mRNA, Protein foams}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2008.11.021}, author = {Singh, A. V. and Patil, R. and Kasture, M. B. and Gade, Wasudeo N. and Bhagavatula L. V. Prasad} } @article { ISI:000267381100014, title = {Synthesis of catalytically active porous platinum nanoparticles by transmetallation reaction and proposition of the mechanism}, journal = {Small}, volume = {5}, number = {12}, year = {2009}, month = {JUN}, pages = {1467-1473}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

A facile method for the synthesis of porous platinum nanoparticles by transmetallation reactions between sacrificial nickel nanoparticles and chloroplatinic acid (H(2)PtCl(6)) in solution, as well as at the constrained environment of the air water interface, using a Langmuir-Blodgett instrumental setup is presented. To carry out the transmetallation at the air-water interface hydrophobized nickel nanoparticles are assembled as a monolayer on the sub phase containing platinum ions. The porous Pt nanoparticles obtained as a result of the reaction are found to act as extremely good catalysts for hydrogenation reaction. The products are well characterized by TEM, HRTEM, EDAX, and STEM. Attempts are made to postulate the plausible mechanism of this reaction to generate this kind of nanoparticle with controllable geometric shape and structure. This simple strategy has the potential to synthesize other nanomaterials of interest too.

}, keywords = {Catalysts, Interfaces, Nickel nanoparticles, porous platinum, Transmetallation}, issn = {1613-6810}, doi = {10.1002/smll.200801863}, author = {Pasricha, Renu and Bala, Tanushree and Biradar, Ankush V. and Shubhangi B. Umbarkar and Sastry, Murali} } @article { ISI:000264123000013, title = {Synthesis of chiral sulfoxides by enantioselective sulfide oxidation and subsequent oxidative kinetic resolution using immobilized Ti-binol complex}, journal = {Journal of Catalysis}, volume = {262}, number = {1}, year = {2009}, month = {FEB}, pages = {111-118}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Chiral Ti-binol complex was immobilized onto ionic liquid modified SBA-15 and characterized by different physicochemical techniques. The catalyst was found to be highly enantioselective in the heterogeneous asymmetric oxidation of prochiral sulfides to sulfoxides and subsequent oxidative kinetic resolution of the sulfoxides using aqueous tert-butylhydroperoxide as the oxidant. A positive non-linear effect was observed in the oxidation-kinetic resolution of thioanisole using this supported catalyst. The supported catalyst was reused in multiple catalytic runs without any loss of enantioselectivity. (C) 2008 Elsevier Inc. All rights reserved.

}, keywords = {Kinetic resolution, Mesoporous silica, Non-linear effect, Sulfides, Sulfoxides, Supported ionic liquid, Ti-binol}, issn = {0021-9517}, doi = {10.1016/j.jcat.2008.12.007}, author = {Sahoo, Suman and Kumar, Pradeep and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000270973600047, title = {Synthesis of framework Ti-substituted, 3-D hexagonal, mesoporous Ti-SBA-12 for selective catalytic oxidation}, journal = {Chemical Communications}, number = {42}, year = {2009}, month = {SEP}, pages = {6484-6486}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Framework Ti-substituted, 3-D hexagonal mesoporous, Ti-SBA-12, obtained for the first time by direct hydrothermal synthesis, oxidises bulky molecules such as cyclohexene and cyclooctene to the epoxides with \>96\% selectivity at high conversion levels (\>60\%).

}, issn = {1359-7345}, doi = {10.1039/b915324a}, author = {Kumar, Anuj and Srinivas, Darbha and Ratnasamy, Paul} } @article {39}, title = {Synthesis of hydroxy-functional PMMA macromonomers by anionic polymerization}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {46}, number = {10}, year = {2009}, month = {SEP}, pages = {PII 914494634}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Living anionic polymerization has been utilized to synthesize hydroxy end-functionalized PMMA macromonomers with styryl or allyl functionalities as the polymerizable end-groups. Protected hydroxy-functionalized alkyl lithium initiators have been used to initiate anionic polymerization of MMA. Subsequently the living chains with protected hydroxyl function have been terminated using 4-vinylbenzyl chloride (4-VBC) or allyl methacrylate (ALMA) to form -hydroxy{\textendash}styryl and -hydroxy{\textendash}allyl PMMA, respectively. These protected hydroxy-functionalized PMMA macromonomers have been characterized by GPC and 1H-NMR. Termination using 4-VBC led to 50\% functionalization, whereas that using allyl methacrylate led to 100\% functionalization of the hydroxy-PMMA.

}, keywords = {Anionic polymerization, functionalized initiator, Macromonomer}, issn = {1060-1325}, doi = {10.1080/10601320903158610}, author = {Dhara, Mahua Ganguly and Sivaram, Swaminathan and Bhonde, Ramesh R. and Bhagavatula L. V. Prasad} } @article { ISI:000267110100003, title = {Synthesis of hydroxy-functionalized star-branched PMMA by anionic polymerization}, journal = {Polymer Bulletin}, volume = {63}, number = {2}, year = {2009}, month = {AUG}, pages = {185-196}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Living anionic polymerization has been exploited to synthesize hydroxy end-functionalized PMMA star-branched polymers. Protected hydroxy-functionalized alkyl lithium initiators have been used to initiate anionic polymerization of MMA. Subsequently the living chains with protected hydroxyl function have been used to cross-link ethylene glycol dimethacrylate (EGDMA) in order to form star-branched polymers with cross-linked EGDMA core via {\textquoteleft}arm-first{\textquoteright} method. The linear arms and the star molecules have been characterized by (1)HNMR, GPC, and light scattering. Variation in the number of arms with arm molecular weight and cross-linker loading has been studied. Star-branched PMMA-OH with as many as similar to 10 arms could be successfully made. Increased molecular weight of PMMA-OH led to decrease in the number of arms incorporated due to increased steric hindrance on the core. Increase in EGDMA concentration slightly increased the arm incorporation.

}, keywords = {Anionic polymerization, Star polymers, Star-branched PMMA}, issn = {0170-0839}, doi = {10.1007/s00289-009-0082-7}, author = {Dhara, Mahua Ganguly and Sivaram, Swaminathan and Baskaran, Durairaj} } @article { ISI:000263216300005, title = {Synthesis of nickel-rubber nanocomposites and evaluation of their dielectric properties}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {156}, number = {1-3}, year = {2009}, month = {JAN}, pages = {24-31}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nanocomposites based on natural rubber and nano-sized nickel were synthesized by incorporating nickel nanoparticles in a natural rubber matrix for various loadings of the filler. Structural, morphological, magnetic and mechanical properties of the composites were evaluated along with a detailed study of dielectric properties. It was found that nickel particles were uniformly distributed in the matrix without agglomeration resulting ill a magnetic nanocomposite. The elastic properties showed an improvement with increase in filler content but breaking stress and breaking strain were found to decrease. Dielectric permittivity was found to decrease with increase in frequency, and found to increase with increase in nickel loading. The decrease in permittivity with temperature is attributed to the high volume expansivity of rubber at elevated temperatures. Dielectric loss of blank rubber as well as the composites was found to increase with temperature. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Dielectric relaxation, Interfacial polarization, Nanocomposites}, issn = {0921-5107}, doi = {10.1016/j.mseb.2008.10.041}, author = {Jamal, E. Muhammad Abdul and Joy, Pattayil Alias and Kurian, Philip and Anantharaman, Maliemadom R.} } @article { ISI:000271443200024, title = {Synthesis of N-methylaniline by aniline alkylation with methanol over Sn-MFI molecular sieve}, journal = {Catalysis Letters}, volume = {133}, number = {1-2}, year = {2009}, month = {NOV}, pages = {175-184}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Sn-MFI molecular sieves (Tin silicalite-1) with SiO(2)/SnO(2) molar ratio of 50-150 were synthesized and characterized. Elemental analysis, XRD and DRUV-vis confirmed that prepared samples were of MFI zeolite structure and Sn was incorporated in MFI framework. Vapor phase methylation of aniline over Sn-MFI was systematically studied and optimizations of process parameters were carried out. Sn-MFI (SiO(2)/SnO(2) = 50) was found to be optimum catalyst with 55\% aniline conversion and 60\% N-methylaniline selectivity. At lower space velocity (higher contact time) of 1 h(-1), aniline conversion was found to be increased to 71\% with reduction in N-methylaniline selectivity to 39\% and increased in N,N-dimethylaniline selectivity to 58\%. The reaction follows first order kinetics with respect to aniline having activation energy of 7.3 kcal/mol.

}, keywords = {Aniline, Lewis acid, Methanol, N-methylaniline, Sn-MFI}, issn = {1011-372X}, doi = {10.1007/s10562-009-0143-4}, author = {Niphadkar, P. S. and Joshi, P. N. and Gurav, H. R. and Deshpande, Suvarna S. and Bokade, Vijay V.} } @article { ISI:000268481500018, title = {Synthesis of polyfunctional quinolizidine alkaloids: development towards selective glycosidase inhibitors}, journal = {Organic \& Biomolecular Chemistry}, volume = {7}, number = {16}, year = {2009}, month = {JUN}, pages = {3300-3307}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A highly divergent route to a variety of quinolizidine alkaloids is described. The enantiomeric precursors 22a and 22b utilized for the synthesis of these alkaloids were constructed stereospecifically from the PET cyclization of the corresponding acetylene tethered alpha-trimethylsilyl amine moieties 21a and 21b, respectively, both of which were synthesised from D-ribose. The polyhydroxy quinolizidine alkaloid 7 was found to be a selective inhibitor of alpha-galactosidase with Ki 83.9 mu M. The amine analogs 18, 12 and 10 are found to be selective and potent inhibitors of alpha-glucosidase with Ki 28, 120 and 140 mu M, respectively.

}, issn = {1477-0520}, doi = {10.1039/b907007a}, author = {Pandey, Ganesh and Grahacharya, Debasish and Shashidhara, K. S. and Khan, Mohammad Islam and Puranik, Vedavati G.} } @article { ISI:000286307300007, title = {Synthesis of Sb-doped SnO2 nanowires and hyperbranched structures}, journal = {Science of Advanced Materials}, volume = {1}, number = {1}, year = {2009}, month = {APR}, pages = {38-43}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Branched nanostructures of semiconducting materials are of great interest for their potential applications in optoelectronic, photonic devices and sensors. We herein describe a facile single-step chemical vapor deposition route for the synthesis of Sb-SnO2 hyperbranched nanostructures comprised of elongated nanowires with 30-40 nm diameter and 10-20 Am length. The morphology and structure has been characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), selective area electron diffraction (SAED), and powder X-ray diffraction (XRD). Also, a possible mechanism is proposed for the growth of nanowires into the hyperbranched form on the basis of the substrate effect, the role of Au nanoparticles, and the effect of Sb doping on specific morphology evolution. Interestingly, electrical conductivity measurements as a function of temperature suggest a semiconducting behavior, despite being governed by different electron-transport mechanisms with activation energies of 0.55 and 0.17 eV, which correspond to pure SnO2 and Sb-SnO2 nanowires, respectively. A precise control over the operating parameters not only envisages custom-designed, branched structures by a simple and economical route but also offers an alternative method to the expensive and tedious nanofabrication techniques for industrial applications.

}, keywords = {Au Nanoparticles, chemical vapor deposition, Sb-SnO2 Hyperbranched Nanostructures}, issn = {1947-2935}, doi = {10.1166/sam.2009.1006}, author = {Sathe, Bhaskar R. and Patil, Mrudula and Walke, Pravin S. and Vivek, J. P. and Lele, Ashish K. and Pillai, Vijayamohanan K. and Mulla, Imtiaz S.} } @article { ISI:000267367300016, title = {Synthesis of Si-MCM-41 from ternary SiO2-CTAOH-H2O system via dry gel conversion route}, journal = {Journal of Sol-Gel Science and Technology}, volume = {51}, number = {2}, year = {2009}, month = {AUG}, pages = {244-250}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Steam assisted dry gel conversion method was employed for the synthesis of Si-MCM-41 from ternary SiO2:CTAOH:H2O systems wherein fumed silica was used as a source of silica. The influence of synthesis time, molar ratios of CTAOH/SiO2 in dry gel and the water content at the bottom of autoclave on the quality and formation of mesophases has been investigated. Powder XRD, N-2 adsorption-desorption, TEM and hydrothermal stability test were the techniques used for sample characterization. Keeping molar ratio of CTAOH/SiO2 constant, shorter synthesis time, lower unit cell parameter and d spacing were observed when steam assisted dry gel conversion method was employed in place of conventional hydrothermal method. There exists an optimum lower limit for water content at the bottom of autoclave for reducing the synthesis period. Keeping synthesis temperature and CTAOH/SiO2 molar ratio fixed, Si-MCM-41 with improved hydrothermal stability was obtained by steam assisted dry gel conversion route.

}, keywords = {Dry gel conversion, powder diffraction, Si-MCM-41, Sol-gel growth, Structural stability, Textural properties}, issn = {0928-0707}, doi = {10.1007/s10971-009-1969-3}, author = {Taralkar, U. S. and Niphadkar, P. S. and Joshi, P. N.} } @article { ISI:000266382800011, title = {Synthesis of the reported protoberberine gusanlung D}, journal = {Synthesis-Stuttgart}, number = {10}, year = {2009}, month = {MAY}, pages = {1667-1672}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Starting from homopiperonylamine or phenethylamine with homophthalic anhydride or 3,4-methylenedioxyhomophthalic acid, respectively, facile syntheses of the reported structures of (+/-)-gusanlung D and (+/-)-isogusanlung d were accomplished via regioselective reductive dehydration of the corresponding homophthalimides followed by an intramolecular acid-catalyzed or radical cyclization pathway. Starting from the corresponding suitably ortho-halogenated homophthalimides, the syntheses of dehydrogusanlung and dehydroisogusanhing D were completed via regioselective reductive dehydration followed by an intramolecular Heck coupling reaction as the key steps. The analytical and spectral data obtained for all four synthetic compounds differed from the reported data for natural gusanling D, and therefore the structural assignment of the natural product needs to be revised.

}, keywords = {gusanlung D, Heck reaction, homophthalic anhydride, homopiperonyl amine, reductive dehydration}, issn = {0039-7881}, doi = {10.1055/s-0028-1088050}, author = {Wakchaure, Prasad B. and Easwar, Srinivasan and N. P. Argade} } @article { ISI:000282871600015, title = {Selective CO2 and H-2 adsorption in a chiral magnesium-based metal organic framework (Mg-MOF) with open metal sites}, journal = {Journal of Materials Chemistry}, volume = {20}, number = {41}, year = {2010}, month = {SEP}, pages = {9073-9080}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A rare porous magnesium-based metal-organic framework, Mg-MOF-1 [Mg(3,5-PDC)(H2O)], was synthesized solvothermally in DMF. Structural determination by X-ray single-crystal diffraction technique reveals that this chiral MOF (space group P6(1)22) is constructed by helical assembly of Mg2+ ions with achiral 3,5-pyridine dicarboxylates and coordinating water molecules, to form a three-dimensional framework with parallel hexagonal channels. The structural detail of its 0D analogue Mg-MOF-2 [Mg(2,4-PDC)(H2O)(3)] has been discussed to show how subtle variation in the ligand architecture changes the resulting structure from 0D to 3D. Mg-MOF-1 remains robust and porous upon evacuation of the coordinating water molecules. This is the first report of a chiral hexagonal Mg-MOF synthesized from an achiral organic building unit. Open Mg metal sites show selective hydrogen (H-2) adsorption (ca. 0.8 wt\% at 77 K) and carbon dioxide (CO2) uptake (ca. 0.7 mmol g(-1) at 298 K) over nitrogen at 1 atm. Ab initio quantum chemical calculation of adsorption energies and possible adsorption sites of hydrogen molecules are also reported.

}, issn = {0959-9428}, doi = {10.1039/c0jm01125h}, author = {Mallick, Arijit and Saha, Subhadeep and Pachfule, Pradip and Roy, Sudip and Banerjee, Rahul} } @article { ISI:000284494800013, title = {Selective hydrogenolysis of glycerol to 1,2-propanediol: comparison of batch and continuous process operations}, journal = {Organic Process Research \& Development}, volume = {14}, number = {6}, year = {2010}, month = {NOV}, pages = {1393-1400}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The screening of copper chromite catalysts with various promoters such as Al, Zn, and Ba for glycerol hydrogenolysis to 1,2-propanediol (1,2-PDO) in a batch reaction showed that Cu-Cr (Ba) catalyst gave the highest conversion of 34\% and selectivity of 84\% to 1,2-PDO. In a continuous operation (23 g catalyst bed) the same catalyst showed higher conversion of glycerol and selectivity for 1,2-PDO of 65\% and \> 90\%, respectively, with an on-stream activity of similar to 800 h. Better performance in a continuous operation could be due to the in situ activation of the catalyst, suppression of glycerol cracking to ethylene glycol, as well as excessive hydrogenation of 1,2-PDO to 2-propanol due to lower contact time of 1.3 h as compared to that in a batch operation (5 h). Effects of various process parameters on conversion and selectivity also have been compared for batch and continuous operations.

}, issn = {1083-6160}, doi = {10.1021/op1001897}, author = {Rode, Chandrashekhar V and Ghalwadkar, Ajay A. and Mane, R. B. and Hengne, Amol M. and Jadkar, Sachin T. and Biradar, Narayan S.} } @article { ISI:000285027100017, title = {Self-organizing maps: a tool to ascertain taxonomic relatedness based on features derived from 16S rDNA sequence}, journal = {Journal of Biosciences}, volume = {35}, number = {4}, year = {2010}, month = {DEC}, pages = {617-627}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Exploitation of microbial wealth, of which almost 95\% or more is still unexplored, is a growing need. The taxonomic placements of a new isolate based on phenotypic characteristics are now being supported by information preserved in the 16S rRNA gene. However, the analysis of 16S rDNA sequences retrieved from metagenome, by the available bioinformatics tools, is subject to limitations. In this study, the occurrences of nucleotide features in 16S rDNA sequences have been used to ascertain the taxonomic placement of organisms. The tetra- and penta-nucleotide features were extracted from the training data set of the 16S rDNA sequence, and was subjected to an artificial neural network (ANN) based tool known as self-organizing map (SOM), which helped in visualization of unsupervised classification. For selection of significant features, principal component analysis (PCA) or curvilinear component analysis (CCA) was applied. The SOM along with these techniques could discriminate the sample sequences with more than 90\% accuracy, highlighting the relevance of features. To ascertain the confidence level in the developed classification approach, the test data set was specifically evaluated for Thiobacillus, with Acidiphilium, Paracocus and Starkeya, which are taxonomically reassigned. The evaluation proved the excellent generalization capability of the developed tool. The topology of genera in SOM supported the conventional chemo-biochemical classification reported in the Bergey manual.

}, keywords = {Curvilinear component analysis, Principal component analysis, self-organizing maps}, issn = {0250-5991}, doi = {10.1007/s12038-010-0070-y}, author = {Raje, D. V. and Purohit, H. J. and Badhe, Yogesh P. and Tambe, S. S. and Kulkarni, B. D.} } @conference { ISI:000280550300020, title = {Shear induced diffusion in dense granular flows}, booktitle = {IUTAM-ISIMM Symposium on Mathematical Modeling and Physical Instances of Granular Flows}, series = {AIP Conference Proceedings}, volume = {1227}, year = {2010}, note = {IUTAM-ISIMM Symposium on Mathematical Modeling and Physical Instances of Granular Flows, Reggio Calabria, ITALY, SEP 14-18, 2009}, month = {JUN}, pages = {221-229}, publisher = {IUTAM; ISIMM; Italian Inst Higher Math; US Natl Sci Fdn; Reg Council Reggio Calabria; Prov Reggio Calabria; Mediterranean Univ Reggio Calabria}, organization = {IUTAM; ISIMM; Italian Inst Higher Math; US Natl Sci Fdn; Reg Council Reggio Calabria; Prov Reggio Calabria; Mediterranean Univ Reggio Calabria}, address = {2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {

The dynamics of dense granular flows subjected to gravity induced shear are investigated experimentally using the refractive index matching technique. The system consists of grains flowing inside a bin with a rectangular cross-section and sheared by a rough boundary on one side and smooth boundaries on the remaining sides. The particles flow within a viscous interstitial liquid having the same refractive index as particles and are imaged in the bulk using laser fluorescence. The particle positions are identified very accurately and tracked over long durations to obtain the mean and fluctuating properties. The shear is observed to be non-linear and localized in a region of 3 to 4 particles near the boundary. The boundary imposes a packing order, and the grains are observed to flow in layers, parallel to the shearing boundary, which get progressively more disordered with distance from the walls. We have also carried out soft particle simulations in a equivalent system incorporating the Cundall-Strack contact model between the particles and ignoring the hydrodynamic effects of the interstitial liquid to understand the effect of particle friction coefficient, elasticity, contact model and polydispersity on the mean and fluctuating flow properties. We find the mean velocity and the number density of the particles as a function of flow cross-section and the particle fluctuation properties observed in the experiments and the simulations to in very good agreement after appropriate scaling.

}, keywords = {DEM, Diffusion, granular, index matching, LAMMPS, laser fluorescence}, isbn = {978-0-7354-0772-5}, issn = {0094-243X}, doi = {10.1063/1.3435393}, author = {Orpe, Ashish V. and Rycroft, Chris H. and Kudrolli, Arshad A.}, editor = {Goddard, J. D. and Jenkins, J. T. and Giovine, P.} } @article { ISI:000281783500005, title = {Short and efficient synthesis of (S)-(+)-2-(Hydroxymethyl)-6-piperidin-2-one}, journal = {Synthesis-Stuttgart}, number = {15}, year = {2010}, month = {AUG}, pages = {2512-2514}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A concise synthesis of (S)-(+)-2-(hydroxymethyl)-6-piperidin-2-one is described that employs L-aspartic acid as chiral pool starting material and Wittig reaction as the key step.

}, keywords = {Amino acid, Hydrogenation, L-aspartic acid, pipecolate, piperidone, Wittig reaction}, issn = {0039-7881}, doi = {10.1055/s-0029-1218823}, author = {Upadhyay, Puspesh K. and Kumar, Pradeep} } @article { ISI:000278198200009, title = {Short enantioselective synthesis of guggultetrol, a naturally occurring lipid}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {5}, year = {2010}, month = {MAR}, pages = {558-561}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An enantioselective synthesis of the naturally occurring lipid, guggultetrol, is described with an overall yield of 24\% starting from commercially available 1-pentadecanol in ten linear steps. The key chiral-inducing steps include a Sharpless asymmetric epoxidation of allylic alcohol and a dihydroxylation of an alpha,beta-unsaturated ester. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.02.019}, author = {George, Shyla and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000277738400017, title = {Simple and efficient synthesis of 2-Aryl-2,3-dihydroquinolin-4(1H)-ones using silica chloride as a new catalyst under solvent-free conditions}, journal = {Synthetic Communications}, volume = {40}, number = {9}, year = {2010}, month = {APR}, pages = {PII 921000023}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A mild, efficient, and high-yielding method for the synthesis of 2-aryl-2,3-dihydroquinolin-4(1H)-ones from their corresponding 2-amino chalcones using silica chloride (SiO2Cl) under solvent-free conditions is described. A series of 2-aryl-2,3-dihydroquinolin-4(1H)-ones containing both electron-donating and electron-withdrawing substituents were synthesized.

}, keywords = {2-Amino chalcones, 2-aryl-2, 3-dihydroquinolin-4(1H)-ones, Microwave, silica chloride}, issn = {0039-7911}, doi = {10.1080/00397910903097252}, author = {Muthukrishnan, Murugan and Mujahid, Mohammad and Punitharasu, V. and Dnyaneshwar, D. A.} } @article { ISI:000281175500059, title = {Simple chemical co-precipitation/calcination route for the synthesis of simulated synroc-B and synroc-C powders}, journal = {Materials Chemistry and Physics}, volume = {123}, number = {2-3}, year = {2010}, month = {OCT}, pages = {695-699}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A simple chemical co-precipitation/calcination route was developed for the synthesis of simulated synroc-B and synroc-C powders using mostly nitrate salts as starting chemicals and 20\% ammonia solution as precipitant. In this route, a mixed solution containing Al-nitrate, Ca-nitrate, Ba-nitrate, zirconyl nitrate and titanyl nitrate in the molar proportion required for synroc-B is added to dilute ammonia solution to precipitate these cations in the form of their hydroxides at room temperature by maintaining pH approximate to 10.5 during precipitation. Formation of a major fluorite phase with minor amounts of anatase, rutile and hollandite phases is observed in the powder obtained after calcination in air at 750 degrees C. Multiphase crystalline synroc-B matrix containing hollandite, perovskite, zirconolite, and rutile phases is obtained after sintering the heat treated powder in the form of pellets at 1230 degrees C for 4h in air. Similarly, pure synroc-C phases with 14 and 20\% simulated waste loadings were synthesized following the same synthesis protocol. These pre-treated powders with a high surface area of similar to 25 m(2) g(-1) gave sintered ceramics having density of similar to 90\% for 14 and 20\% waste loadings. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Ceramics, Chemical synthesis, Oxides, Sintering}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2010.05.039}, author = {Potdar, H. S. and Vijayanand, S. and Mohaideen, Kamal Khaja and Patil, K. R. and Joy, Pattayil Alias and Madhavan, R. Raja and Kutty, K. V. G. and Ambashta, Ritu D. and Wattal, P. K.} } @article { ISI:000284261800094, title = {Small molecule inhibition of phosphatidylinositol-3,4,5-triphosphate (PIP3) binding to pleckstrin homology domains}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {107}, number = {46}, year = {2010}, month = {NOV}, pages = {20126-20131}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

The PI3-kinase (PI3K) pathway regulates many cellular processes, especially cell metabolism, cell survival, and apoptosis. Phosphatidylinositol-3,4,5-trisphosphate (PIP3), the product of PI3K activity and a key signaling molecule, acts by recruiting pleckstrin-homology (PH) domain-containing proteins to cell membranes. Here, we describe a new structural class of nonphosphoinositide small molecule antagonists (PITenins, PITs) of PIP3-PH domain interactions (IC50 ranges from 13.4 to 31 mu M in PIP3/Akt PH domain binding assay). PITs inhibit interactions of a number of PIP3-binding PH domains, including those of Akt and PDK1, without affecting several PIP2-selective PH domains. As a result, PITs suppress the PI3K-PDK1-Akt pathway and trigger metabolic stress and apoptosis. A PIT-1 analog displayed significant antitumor activity in vivo, including inhibition of tumor growth and induction of apoptosis. Overall, our studies demonstrate the feasibility of developing specific small molecule antagonists of PIP3 signaling.

}, keywords = {Anticancer, PIP3 antagonist}, issn = {0027-8424}, doi = {10.1073/pnas.1004522107}, author = {Miao, Benchun and Skidan, Igor and Yang, Jinsheng and Lugovskoy, Alexey and Reibarkh, Mikhail and Long, Kai and Brazell, Tres and Durugkar, Kulbhushan A. and Maki, Jenny and Ramana, C. V. and Schaffhausen, Brian and Wagner, Gerhard and Torchilin, Vladimir and Yuan, Junying and Degterev, Alexei} } @article { ISI:000285682500012, title = {Solid-acid-based process for the conversion of hemicellulose}, journal = {Green Chemistry}, volume = {12}, number = {12}, year = {2010}, month = {DEC}, pages = {2153-2156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We describe a solid-acid-catalyzed conversion of hemicellulose (a component of lignocellulosic material) into xylose, arabinose and furfural in aqueous media.

}, issn = {1463-9262}, doi = {10.1039/c004128a}, author = {Dhepe, Paresh Laxmikant and Sahu, Ramakanta} } @article { ISI:000275580600010, title = {Solvent-free selective oxidation of benzyl alcohol to benzaldehyde by tert-butyl hydroperoxide over U3O8-supported nano-gold catalysts}, journal = {Applied Catalysis A-General}, volume = {375}, number = {2}, year = {2010}, month = {MAR}, pages = {252-257}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Liquid-phase oxidation of benzyl alcohol to benzaldehyde by tertiary butyl hydroperoxide over different uranium oxide supported nano-gold catalysts in the absence of a solvent has been thoroughly investigated. The influences of catalyst parameters [viz, method of gold deposition (impregnation, co-precipitation, deposition-precipitation and homogeneous deposition-precipitation), gold loading (08 wt\%) and catalyst calcination temperature (100-900 degrees C)] on the catalyst performance have been investigated. The influence of reaction conditions [viz, reaction time (0-2 h) and temperature (25-94 degrees C)] on the process performance has also been studied. The Au/U3O8 catalyst prepared by the homogeneous deposition-precipitation and calcined at 400 degrees C showed very high activity (100\% benzyl alcohol conversion with \>85\% selectivity for benzaldehyde) in the process for a short reaction period (0.5 h) at 94 degrees C. The catalyst also showed excellent reusability in the process. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Au/U3O8 catalyst, Benzaldehyde, Benzyl alcohol, Nano-gold, Partial oxidation, tert-Butyl hydroperoxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2010.01.007}, author = {Choudhary, Vasant R. and Dumbre, Deepa K.} } @article { ISI:000275937400001, title = {Solvent-induced viscosity changes in ionic liquids - a review}, journal = {Proceedings of the National Academy of Sciences India Section A-Physical Sciences}, volume = {80}, number = {1}, year = {2010}, month = {JAN}, pages = {1-12}, publisher = {NATL ACAD SCIENCES INDIA}, address = {5 LAJPATRAI RD, ALLAHABAD 211002, INDIA}, abstract = {

The high viscosity of several ionic liquids is an undesirable property for their applications in a variety of chemical reactions and electrochemical devices. Addition of a solvent in an ionic liquid is known to reduce its high viscosity to a great extent. In this review, an attempt has been made to examine the published data on the reduction in viscosities of many ionic liquids upon the addition of molecular solvents, including water. A tentative description has been provided for the drop in viscosities under these conditions. Analysis of the viscosity data with the help of empirical equations has been summarized. This critical review also outlines the future outlook of the required studies that might be useful to those who are interested in using ionic liquids for a variety of applications.

}, keywords = {ionic liquids, solvent, viscosity}, issn = {0369-8203}, author = {Khupse, Nageshwar D. and Kumar, Anil} } @proceedings {42678, title = {On some aspects of fock-space multi-reference coupled-cluster singles and doubles energies and optical properties}, volume = {11}, year = {2010}, month = {APR}, pages = {375-393}, publisher = {Springer}, address = {Netherlands}, author = {Manohar, Prashant Uday and Shamasundar, K. R. and Bag, Arijit and Vaval, Nayana and Pal, Sourav} } @conference { ISI:000279938400011, title = {Static hyper-polarizability of open shell molecules computed at the FSMRCCSD level using constrained variational approach}, booktitle = {International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives}, series = {Astrophysics and Space Science Proceedings}, year = {2010}, note = {International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives, Indian Inst Astrophys, Kodaikanal Observatory, Bangalore, INDIA, JAN 28-31, 2009}, month = {FEB}, pages = {99-109}, publisher = {Springer}, organization = {Springer}, address = {233 Spring Street, New York, NY 10013, United States}, abstract = {

In recent years, there has been a significant development in the analytic derivatives of energy with respect to electric fields based on the state-of-the-art multi-reference coupled-cluster method using Lagrangian based constrained variational approach. So far, the Lagrangian based Fock space multi-reference coupled cluster (FSMRCC) method has been successfully used to calculate electrical dipole moment and polarizability of open shell molecules, particularly, doublet radicals at the ground state and the electronic excited states of closed shell molecules. In this article, Lagrangian based FSMRCC method has been implemented for the first time for calculation of hyper polarizabilites of a few doublet radicals such as OH, OF, NO and NO(2). Orbital-relaxed finite field FSMRCC values are reported for comparison.

}, isbn = {978-3-642-10321-6}, issn = {1570-6591}, doi = {10.1007/978-3-642-10322-3_11}, author = {Bag, Arijit and Bhattacharya, S. and Pal, S.}, editor = {Chaudhuri, R. K. and Mekkaden, M. V. and Raveendran, A. V. and Narayanan, A. S.} } @article { ISI:000274401600036, title = {Steady state and time resolved fluorescence quenching and chemical modification studies of a lectin from endophytic fungus fusarium solani}, journal = {Journal of Fluorescence}, volume = {20}, number = {1}, year = {2010}, month = {JAN}, pages = {305-313}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The solute quenching studies of a lectin from endophytic fungus Fusarium solani were carried out using different quenchers such as acrylamide, succinimide, potassium iodide and cesium chloride. The lectin showed emission maximum at 348 nm indicating relative exposure of tryptophan. The quenchable fraction of the fluorophore was 100\% with acrylamide, whereas it was only 50\% with succinimide. The ionic quenchers iodide and cesium showed opposite effects at different pH. In the case of cesium, raising the pH resulted in increased quenching and accessibility of typtophan residue, while the iodide showed just opposite effect. These studies showed that the single tryptophan residue of the lectin (per monomer) is relatively exposed, and might be in the vicinity of positively charged amino acid residues. Various amino acids of the F. solani lectin were modified using different reagents to obtain information about the hemagglutinating site. The chemical modification studies suggested tyrosine residues can be modified using N-acetylimidazole, which results in complete loss of hemagglutination activity of the lectin. Kinetics of chemical modification suggested involvement of only 2 tyrosine residues. Modification of arginine, cysteine, histidine, lysine, aspartate, glutamate and tryptophan did not result in loss of hemagglutinating activity of the lectin.

}, keywords = {Chemical modification, fluorescence, Fusarium, Lectin, Quenching, Time-resolved}, issn = {1053-0509}, doi = {10.1007/s10895-009-0556-x}, author = {Khan, Feroz and Ahmad, Absar and Khan, Mohammad Islam} } @article { ISI:000283697400019, title = {Stereocontrolled route to the synthesis of (+/-)-3-amino-2,2-dimethyl-1,3-diphenylpropan-1-ol}, journal = {Tetrahedron Letters}, volume = {51}, number = {45}, year = {2010}, month = {NOV}, pages = {5927-5929}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Both the diastereomers of (+/-)-3-amino-2,2-dimethyl-1,3-diphenylpropan-1-ol were synthesized starting from a common intermediate, namely,B-hydroxy, oxime 6. Diastereoselective reduction with NaBH(4)/TiCl(4) and H(2)-Pd/C provided syn- and anti-isomers, respectively. Good overall yield and selectivity were realized using a simple protocol. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {1, 3-Aminoalcohol, Aldol-Tishchenko reaction, beta-Hydroxy oxime, Diastereoslective reduction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.09.011}, author = {Patil, M. N. and Bhowmick, Kartick C. and Joshi, Navalkishore N.} } @article { ISI:000287635800023, title = {Stereoselective formal total synthesis of novel antibiotic (-)-centrolobine}, journal = {Heterocycles}, volume = {80}, number = {1}, year = {2010}, month = {JAN}, pages = {219-227}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A concise and stereoselective formal total synthesis of (-)-centrolobine is achieved utilizing Mioskowski{\textquoteright}s Lewis acid mediated epoxide opening followed by ring-closing metathesis as the key reaction.

}, keywords = {antibiotic, Centrolobine, Keck allylation, Ring-closing metathesis, Sharpless asymmetric epoxidation}, issn = {0385-5414}, doi = {10.3987/COM-08-S(S)1}, author = {Mohapatra, Debendra K. and Pal, Rita and Rahaman, Hasibur and Gurjar, Mukund K.} } @article { ISI:000275455500010, title = {Strain improvement of lactobacillus lactis for d-lactic acid production}, journal = {Biotechnology Letters}, volume = {32}, number = {4}, year = {2010}, month = {APR}, pages = {517-520}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Three mutants, isolated by repeated UV mutagenesis of Lactobacillus lactis NCIM 2368, produced increased d-lactic acid concentrations. These mutants were compared with the wild type using 100 g hydrolyzed cane sugar/l in the fermentation medium. One mutant, RM2-24, produced 81 g lactic acid/l which was over three times that of the wild type. The highest d-lactic acid (110 g/l) in batch fermentation was obtained with 150 g cane sugar/l with a 73\% lactic acid yield. The mutant utilizes cellobiose efficiently, converting it into d-lactic acid suggesting the presence of cellobiase. Thus, this strain could be used to obtain d-lactic acid from cellulosic materials that are pre-hydrolyzed with cellulase.

}, keywords = {Cellobiose utilization, D-Lactic acid production, Lactobacillus lactis, Mutant, Sucrose (cane sugar)}, issn = {0141-5492}, doi = {10.1007/s10529-009-0187-y}, author = {Joshi, D. S. and Singhvi, M. S. and Khire, Jayant Malhar and Gokhale, D. V.} } @article { ISI:000276199300050, title = {Strain-rate frequency superposition in large-amplitude oscillatory shear}, journal = {Physical Review E}, volume = {81}, number = {3, 1}, year = {2010}, month = {MAR}, pages = {031401}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

In a recent work, Wyss et al. [Phys. Rev. Lett. 98, 238303 (2007)] have noted a property of {\textquoteleft}{\textquoteleft}soft solids{\textquoteright}{\textquoteright} under oscillatory shear, the so-called strain-rate frequency superposition. We extend this study to the case of soft solids under large-amplitude oscillatory shear (LAOS). We show results from LAOS studies in a mono-disperse hydrogel suspension, an aqueous gel, and a biopolymer suspension and show that constant strain-rate frequency sweep measurements with soft solids can be superimposed onto master curves for higher harmonic moduli with the same shift factors as for the linear viscoelastic moduli. We show that the behavior of higher harmonic moduli at low frequencies in constant strain- rate frequency sweep measurements is similar to that at large strain amplitude in strain- amplitude sweep tests. We show surface plots of the harmonic moduli and the energy dissipation rate per unit volume in LAOS for soft solids and show experimentally that the energy dissipated per unit volume depends on the first harmonic loss modulus alone, in both the linear and the nonlinear viscoelastic regime.

}, issn = {1539-3755}, doi = {10.1103/PhysRevE.81.031401}, author = {Kalelkar, Chirag and Lele, Ashish K. and Kamble, Samruddhi} } @article { ISI:000280204900018, title = {Structural diversity in a series of metal-organic frameworks (MOFs) composed of divalent transition metals, 4,4 {\textquoteleft}-bipyridine and a flexible carboxylic acid}, journal = {Crystengcomm}, volume = {12}, number = {8}, year = {2010}, month = {APR}, pages = {2381-2389}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of flexible metal-organic frameworks (MOFs) have been successfully synthesized under hydrothermal condition using 1,3-adamantanediacetic acid (C(14)H(20)O(4), H(2)ADA) as a flexible dicarboxylate building block, 4,4{\textquoteright}-bipyridine and transition metal ions [Cd(II), Zn(II), and Mn(II)] as metal centers in DMF and aqueous media. These MOFs formulated as [Cd(ADA)(4,4{\textquoteright}-bipy)(0.5)]center dot(DMF) (Cd-ADA-1), [Mn(ADA)(4,4{\textquoteright}-bipy)(0.5)]center dot(DMF) (Mn-ADA-1), Zn(ADA)(4,4{\textquoteright}-bipy)(0.5) (Zn-ADA-1), and [Mn(HADA)(2)(4,4{\textquoteright}-bipy)(H(2)O)(2)] (Mn-ADA-2) (ADA = 1,3-adamantanediacetate, 4,4{\textquoteright}-bipy = 4,4{\textquoteright}-bipyridine and DMF = N,N{\textquoteright}-dimethyl formamide) display interesting 1D, 2D and 3D structural features depending on the solvent of synthesis. All these MOFs were structurally determined by single-crystal X-ray diffraction. The coordination modes of this ligand are discussed and in addition, thermal stability and hydrogen (H(2)) and carbon-dioxide (CO(2)) adsorption properties of Cd-ADA-1, Mn-ADA-1 and Zn-ADA-1 are also presented. Hydrogen sorption at 77 K and up to 1 atm is found to be 0.42, 0.72 and 1.36 wt\% without saturation for Zn-ADA-1, Mn-ADA-1 and Cd-ADA-1 samples.

}, issn = {1466-8033}, doi = {10.1039/c000723d}, author = {Pachfule, Pradip and Panda, Tamas and Dey, Chandan and Banerjee, Rahul} } @article {42725, title = {Structural diversity in manganese, iron and cobalt complexes of the ditopic 1,2- bis(2,2{\textquoteright}-bipyridyl-6-yl)ethyne ligand and observation of epoxidation and catalase activity of manganese compounds}, journal = {Royal Society of Chemistry}, volume = {39}, year = {2010}, month = {JUN}, pages = {7266-7275}, abstract = {

A ditopic 1,2-bis(2,2'-bipyridyl-6-yl)ethyne ligand, L, has been synthesized for the first time by consecutive Suzuki and Sonogashira coupling reactions either in a one- or two-step synthesis. Coordination of L with some first-row transition metals, Fe, Mn and Co showed a very rich structural diversity that can be obtained with this ligand. Reaction of L with MnII(OAc)2 yielded a dimanganese(II) complex, [Mn2L(μ-OAc)3]PF6, (1) where the two somewhat inequivalent trigonal-bipyramidal Mn atoms separated by 3.381 {\r A} are bridged by L and three acetate moieties. A similar reaction of L with MnIII(OAc)3 yielded a very different dimanganese complex [Mn2L'(OH)(OAc)2(DMF)2]PF6{\textperiodcentered}DMF (2) where L' is a E-1,2-bis(2,2'-bipyridyl-6-yl)ethene fragment that was formed in situ. The L' ligand bridges between the two Mn centers, despite its trans configuration, which leads to a very strained ethene bridging moiety. The Mn atoms are also bridged by two acetate ligands and a hydroxy group that bridges between the Mn atoms and the ethene fragment; DMF completes the octahedral coordination around each Mn atom which are separated by 3.351 {\r A}. A comproportionation reaction of L with MnII(OAc)2 and n-Bu4NMnO4 yielded a tetramanganese compound, [Mn4(μ3-O)2(OAc)4(H2O)2L2](PF6)2{\textperiodcentered}2CH3CN (3). Compound 3 has a dimer of dimers structure of the tetranuclear Mn core that consists of binuclear [Mn2O(OAc)2L]+ fragment and a PF6 anion. BVS calculations indicate that 3 is a mixed-valent 2MnII plus 2MnIII compound where two [MnII2O(OAc)2L]+ fragments are held together by MnIII{\textendash}O inter-fragment linkers which have a distorted octahedral geometry. The Mn atoms in the [Mn2O(OAc)2L]+ fragments have a capped square-pyramid configuration where an aqua ligand is capped on one of the faces. Although the aqua ligand is well within a bonding distance to a carbon atom of the proximal ethyne bridge, there does not appear to be an oxygen{\textendash}carbon bond formation, rather the ligand is constrained in this position, as deduced by the observation that the bond lengths and angles of the ligand are essentially the same as those for the free ligand, L. Reaction of L with perchlorate or triflate salts of Fe(II), Mn(II) and Co(II) in dry acetonitrile yielded binuclear triple helicate structures (2[thin space (1/6-em)]:[thin space (1/6-em)]3 metal to L ratios) [Fe2L3](CF3SO3)4{\textperiodcentered}CH3CN (4), [Mn2L3](ClO4)4{\textperiodcentered}1.7CH3CN{\textperiodcentered}1.65EtOEt (5) and [Co2L3](ClO4)4{\textperiodcentered}2CH3CN{\textperiodcentered}2EtOEt (6) where each M(II) center with a slightly distorted octahedral geometry is bridged by three of the ditopic ligands. The M{\textendash}M distances varied; 5.961 {\r A} (Mn), 6.233 {\r A} (Co) 6.331 {\r A} (Fe). Reaction of L with Co(ClO4)2{\textperiodcentered}6H2O in wet acetonitrile yielded a dicobalto(III) compound, [Co2L'3(O)2](ClO4)2{\textperiodcentered}H2O (7), with two types of L' fragments; one bridging between the two Co centers and two non-bridging ligands, each bonded to a Co atom via one bipyridyl group where the other is non-bonding. The octahedral coordination sphere around each Co atom is completed by the formation of a cobalt{\textendash}carbon bond from the two carbon atoms of the ethene moiety of the bridging ligand and by a hydroxy moiety that is also bonded to the ethene group of the non-bridging ligand. Reaction of L with Co(ClO4)2{\textperiodcentered}6H2O in dry acetonitrile in the presence of Et3N yielded the tetracobalto(II) complex {[Co2L4(OH)4](ClO4)4}2 (8) with a unique twisted square configuration of cobalt ions with Co{\textendash}Co distances of 3.938 to 4.131 {\r A}. In addition to the L bridging ligand the Co atoms are linked by hydroxy moieties. Some preliminary catalytic studies showed that the Mn compounds 1 and 2 were active (high yield within 3 min) for alkene epoxidation with peracetic acid and hydrogen peroxide dismutation (catalase activity).

}, doi = {10.1039/B925129D}, author = {Madhu, Vedichi and Ekambaram, Balaraman and Shimon, Linda J. W. and Diskin, Yael and Leitus, Gregory and Neumann, Ronny} } @article { ISI:000275049800051, title = {Structural diversity in partially fluorinated metal organic frameworks (F-MOFs) composed of divalent transition metals, 1,10-phenanthroline, and fluorinated carboxylic acid}, journal = {Crystal Growth \& Design}, volume = {10}, number = {3}, year = {2010}, month = {MAR}, pages = {1351-1363}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Seven new partially fluorinated metal-organic frameworks (F-MOFs) have been synthesized under different solvothermal conditions (H(2)O or N,N-dimethylformamide (DMF)) from transition metal cations [Zn(II), Co(II), and Mn(II)], 1,10-phenanthroline (phen), and 4,4{\textquoteright}-(hexafluoroisopropylidene) bis(benzoic acid) (C(17)H(10)F(6)O(4), H(2)hfbba) to determine the influence of reaction conditions on the formation of metal-organic frameworks. This family of materials displays a striking degree of structural similarity depending on the solvent of synthesis. Of the seven materials, two contain three-dimensional connectivity: Co(3)(hfbba)(6)(phen)(2) (F-MOF-6) and Mn(3)(hfbba)(6)(Phen)(2) (F-MOF-10). Three materials are one-dimensional structures: Zn(hfbba)(0.5)(phen)(HCO(2)) (F-MOF-8), Mn(Hhfbba)(2)(Phen) (F-MOF-11), and [Mn(hfbba)(2)(dm-phen)]center dot(H(2)O) (F-MOF-11A). Lastly, Co(hfbba)(phell)(2)center dot 2(H(2)hfbba)(H(2)O)(HCO(2)) (F-MOF-7) and Zn(hfbba)(phen)(2)center dot 2(H(2)hfbba) (H(2)O)-(HCO(2)) (F-MOF-9) are discrete zero-dimensional molecular complexes. F-MOF-6 and -10, which feature it three-dimensional (3D) framework with pcu topolgy are formed in DMF like F-MOF-8 and at 85 degrees C. The remaining F-MOFs are formed by a solvothermal reaction at 120 degrees C in water. F-MOF-7 and -9 are isostructural discrete zero-dimensional molecular complexes (a similar to 19.5; b similar to 13.7; c similar to 26.2/29.6 angstrom; beta similar to 99.9/120.04; V similar to 6840 angstrom(3)). All these F-MOFs were structurally determined by single-crystal X-ray diffraction. Solid-state properties such its UV-vis and the thermal stability of F-MOF-6 to -11A have also been studied. Insight into the factors influencing the preferred crystallization of a specific complex over others has been obtained from full quantum chemical (QM) calculations using density functional theory (DFT).

}, issn = {1528-7483}, doi = {10.1021/cg9013812}, author = {Pachfule, Pradip and Dey, Chandan and Panda, Tamas and Vanka, Kumar and Banerjee, Rahul} } @article { ISI:000278147900009, title = {Structural, magnetic, and gas adsorption study of a two-dimensional tetrazole-pyrimidine based metal-organic framework}, journal = {Crystal Growth \& Design}, volume = {10}, number = {6}, year = {2010}, month = {JUN}, pages = {2475-2478}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new two-dimensional (2D) metal-organic framework, Cu-TP-1, has been synthesized under solvothermal conditions (DMF) from the transition metal cation Cu(II) and 2-tetrazole pyrimidine (C5H5N6, H-TP). The structure has been determined by single crystal X-ray crystallography which shows a (6,3) honeycomb 2D net with perpendicular one-dimensional channels. Permanent porosity of Cu-TP-1 has been determined by the nitrogen adsorption isotherm. Cu-TP-1 show interesting H-2 and CO2 uptake. CO2 uptake of Cu-TP-1 (at 298 K, 1 atm pressure) is seen to be comparable to the recently reported ZIF-95 which outperforms ZIF-100 and BPL carbon. The magnetic properties show an antiferromagnetically coupled Cu ... Cu interaction down to 8 K with a Weiss temperature around 108 K.

}, issn = {1528-7483}, doi = {10.1021/cg1003726}, author = {Pachfule, Pradip and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000276190900021, title = {Structure and gelation mechanism of silk hydrogels}, journal = {Physical Chemistry Chemical Physics}, volume = {12}, number = {15}, year = {2010}, month = {FEB}, pages = {3834-3844}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Silk fibroin was regenerated from cocoons produced by the silkworm Bombyx Mori. Light scattering showed that an aqueous solution of the regenerated silk fibroin (RSF) was made of individual proteins with a weight average molar mass of about 4 x 10(5) g mol(-1) and a hydrodynamic radius of about 10 nm. Gel formation of RSF in acidic solutions was investigated as a function of the pH (2-4), concentration (0.5-10 g L(-1)) and temperature (5-70 degrees C). The structure of the gels was studied using light scattering and confocal laser scanning microscopy. The structure was found to be self-similar from length scales of less than 15 nm up to length scales of about 1 mm, and characterized by a correlation length of a few microns. Gel formation was tracked using turbidity, rheology, light scattering and circular dichroism. Gelation involves the formation of self-similar aggregates with a growth rate that increases exponentially. The protein aggregation is correlated to, and perhaps caused by, the formation of beta-sheets, the fraction of which also increases exponentially with time.

}, issn = {1463-9076}, doi = {10.1039/b916319k}, author = {Nagarkar, Shailesh and Nicolai, Taco and Chassenieux, Christophe and Lele, Ashish K.} } @article { ISI:000273580700038, title = {Structure, electronic structure, optical, and dehydrogenation catalytic study of (Zn1-zInz)(O1-xNx) solid solution}, journal = {Chemistry of Materials}, volume = {22}, number = {2}, year = {2010}, month = {JAN}, pages = {565-578}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Indium and nitrogen codoping in ZnO leads to a solid solution of InN in ZnO with I composition of(Zn1-zInz)(O1-xNx). A simple solution combustion method has been adopted to prepare the above materials in less than 10 min with metal nitrates as the metal loll source and urea as fuel. With reference to ZnO, significant increase in lattice parameters was observed with increasing In-content. However, the In2O3 phase was Observed along with InN for]it content \>= 10\%. Optical absorption extended into the Visible region, at least LIP to 550 nm, demonstrates an effective reduction of optical band gap due to the formation of solid Solution. A new feature observed just above O2p valence band in X-ray photoelectron spectroscopy (XPS) suggests the creation of N 2p states from InN; the N Is core level XPS result too confirms nitride contribution. Raman spectroscopy and secondary ion mass spectrometry results show direct In-N, Zn-N. and In-N-Zn fragments in (Zn1-zInz)(O1-x,N-x). Catalytic activity explored for Oxidation of 2-butanol to ethyl methyl ketone demonstrates a high selectivity at 350 and 400 degrees C. All of the above characteristics suggest the multifunctional nature of (Zn1-zInz)(O1-xNx) and its potential for other applications.

}, issn = {0897-4756}, doi = {10.1021/cm903368r}, author = {Mapa, Maitri and Sivaranjani, Kumarsrinivasan and Bhange, Deu S. and Saha, Biswajit and Chakraborty, Purushottam and Viswanath, Annamraju Kasi and Gopinath, Chinnakonda S.} } @article { ISI:000279333000002, title = {Structure-activity studies of dodecatungstophosphoric acid impregnated bentonite clay catalyst in hydroxyalkylation of p-cresol}, journal = {Catalysis Communications}, volume = {11}, number = {11}, year = {2010}, month = {JUN}, pages = {942-945}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Bentonite clay impregnated with dodecatungstophosphoric acid (20\% DTP/BNT) showed an excellent activity, selectivity and stability [95\% product yield with 94\% selectivity to 2, 2{\textquoteright}-methylenebis (4-methylphenol), DAM] for the hydroxyalkylation of p-cresol with formaldehyde at 353 K and for a mole ratio of 5. Ammonia-TPD results showed that an increase in total concentration of acid sites from 4.9 of parent bentonite to 11.6 micromoles per surface area NH(3) (mu molS(-1) NH(3)) of 20\% DTP/BNT was due to a strong interaction of protons of bulk DTP with surface hydroxyl groups of BNT as evidenced by (31)P NMR studies. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {(31)P CPMAS NMR, Bentonite, Hydroxyalkylation, p-Cresol, surface modification}, issn = {1566-7367}, doi = {10.1016/j.catcom.2010.04.008}, author = {Garade, Ajit C. and Kshirsagar, V. S. and Jha, Ajay and Rode, C. V.} } @article { ISI:000281125800003, title = {Structure-function mimicry of oxidized purple acid phosphatase-PAP(ox)-A new functional model}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {49}, number = {8}, year = {2010}, month = {AUG}, pages = {1023-1029}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

{Electronic structure and spectroscopic properties of the novel diiron active site of oxidized mammalian purple acid phosphatase analogues, Fe-6: [Fe-2 (mu-O) (mu-OAc) (4HNSQ(ox))(2 center dot-)(ONSQ(ox))(2 center dot-)(H2O)(4)] and Fe-7: [Fe-2 (mu-O) (mu-OAc)(ONSQ(ox))(2 center dot-)(OAc) (H2O)(4)] are described. Magnetic susceptibility SQUID data of Fe-6 are best fitted to Heisenberg{\textquoteright}s isotropic spin pair (S = 5/2, 3/2) model using magnetic parameters g = 2 and J = - 36.8 cm(-1) with R factor = 6.4 x 10(-4). The antiferromagnetic exchange establishes Fe(III)-O-Fe(III) dimeric core with Fe(III) site having two radical ligations in the naphthosemiquinone oxime form of lawsone oxime. In the model compound Fe-7 of oxidized purple acid phosphatase, bridged and terminal acetate functions are identified according to their different energies of activations, i.e, similar to 34 and 58 kJ mol(-1) respectively. Also, the reduced naphthoquinone oxime form of ligand is characterized by its energy of activation (similar to 15 kJ mol(-1)) from pyrolytic reaction. Mossbauer parameters

}, keywords = {Antiferromagnetic exchange, Bioinorganic chemistry, DNA cleavage, iron, Nuclease activity, PAP(ox) analogues}, issn = {0376-4710}, author = {Waghmode, Shobha A. and Date, Sadgopal K. and Gupta, Vidya S. and Rane, Sandhya Y.} } @article { ISI:000278230700005, title = {Studies of antimicrobial activity of turmeric (Curcuma Longa L.) leaves and rhizomes collected during plant growth phases}, journal = {Research Journal of Biotechnology}, volume = {5}, number = {2}, year = {2010}, month = {MAY}, pages = {24-28}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {

Turmeric is the processed underground rhizome used as spice, herbal medicines, dying agent and cosmetics. The leaves and rhizomes of this plant were collected at periodic intervals. These samples were air dried, powdered and extracted with MeOH and EtOH. Antibacterial activity of these extracts was determined against three different index microbes, gram-positive cocci, gram-negative rod and cocci using well diffusion method with appropriate controls. Antimicrobial activity of the 4-month-old leaves was found to be the maximum while that of mature and fresh rhizomes was the maximum against both gram-positive and Gram-negative bacteria.

}, keywords = {antibacterial activity, Curcuma longa, Leaf extract, Minimum inhibitory concentration, rhizome extract}, issn = {0973-6263}, author = {Shirgurkar, M. V. and Thengane, Shubhada Ratnakar} } @article { ISI:000274398400016, title = {Studies of penicillin G acylase immobilization using highly porous cellulose-based polymeric membrane}, journal = {Applied Biochemistry and Biotechnology}, volume = {160}, number = {4}, year = {2010}, month = {FEB}, pages = {1130-1145}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

The different ionic molecules/compounds were used as a ligand for the immobilization of penicillin G acylase on the highly porous cellulose-based polymeric membrane having buffer flux 1,746 LMH (L m(-2) h(-1)) at 0.5 bar pressure. The immobilized enzyme activity around 250 U-App was obtained with the ligand such as proline, tryptophan, casein acid hydrolysate, and brilliant green. Comparatively, proline showed less IMY\% (percentage immobilization yield-58) but higher RTA\% (percentage of activity retention-71) and specific activity (145 U-App g(-1)). However, the crosslinked preparation of brilliant green obtained using glutaraldehyde showed 82 +/- 2.7\% immobilized enzyme activity after the completion of successive five cycles. In comparison with the free enzyme, the enzyme immobilized on the brilliant green coupled membrane showed around 2.4-fold increase in K-m value (47.4 mM) as well as similar optimum pH (7.2) and temperature (40 degrees C). The immobilized enzyme retained almost 50\% activity after 107 days and 50 cycles of operation. Almost 50\% decrease in buffer flux after enzyme immobilization was observed. At the end of the 30 cycles, flux pattern shows around 38\% decrease in buffer flux however, after 16 cycles of operation flux moves closer towards the steady state.

}, keywords = {Brilliant green, Immobilization, Penicillin G acylase, Polymeric membrane, Proline}, issn = {0273-2289}, doi = {10.1007/s12010-009-8686-9}, author = {Adikane, H. V. and Thakar, D. M.} } @article { ISI:000283745300023, title = {Study of the effect of plasma-striking atmosphere on Fe-oxidation in thermal dc arc-plasma processing}, journal = {Journal of Vacuum Science \& Technology A}, volume = {28}, number = {6}, year = {2010}, month = {NOV}, pages = {1399-1403}, publisher = {A V S AMER INST PHYSICS}, address = {STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA}, abstract = {

The effect of plasma-striking atmosphere: air and air+Ar-gas on the crystallization of Fe-oxide phases was studied using dc thermal arc-plasma processing route. The powders were characterized by x-ray diffraction, vibrating sample magnetometry, transmission electron microscopy, and Mossbauer spectroscopy techniques. At room temperature and O(2) rich atmosphere, arc-evaporated Fe(2+) ions oxidize into either gamma-Fe(2)O(3) or Fe(3)O(4) depending upon the combining ratio of Fe with molecular O(2). Fe/O ratio could be adjusted using proper flow rate of Ar gas to crystallize the pure gamma-Fe(2)O(3). (C) 2010 American Vacuum Society. [DOI: 10.1116/1.3504597]

}, issn = {0734-2101}, doi = {10.1116/1.3504597}, author = {Banerjee, Indrani and Khollam, Y. B. and Mahapatra, S. K. and Das, A. K. and Bhoraskar, S. V.} } @article { ISI:000281347500022, title = {Surface texture and specific adsorption sites of sol-gel synthesized anatase TiO2 nanoparticles}, journal = {Materials Research Bulletin}, volume = {45}, number = {10}, year = {2010}, month = {OCT}, pages = {1470-1475}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The surface properties of sot-gel synthesized anatase titania (TiO2) nanoparticles are probed by sorptiometry, infrared absorption spectroscopy, UV-vis diffuse reflectance spectroscopy and high resolution transmission electron microscopy. The results reveal strong correlations of the surface area, porosity, pyridine adsorption capacity and strength, and catalytic methylbutynol decomposition activity. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Catalytic properties, Nanostructures, Oxides, Sol-gel chemistry, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2010.06.026}, author = {Zaki, Mohamed I. and Mekhemer, Gamal A. H. and Fouad, Nasr E. and Jagadale, Tushar C. and Ogale, Satishchandra B.} } @article { ISI:000276492300024, title = {Switching of hydrophilic to ultra hydrophilic properties of flower-like gold nanostructures}, journal = {Applied Surface Science}, volume = {256}, number = {13}, year = {2010}, month = {APR}, pages = {4192-4195}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Flower-like morphologies of gold nanostructures were obtained via chemical method by controlling molar concentration ratio of reducing agent and precursor. Chloroauric acid was used as a metal precursor while tri-sodium citrate as the reducing agent. These flower-like structures were characterized by UV-vis spectroscopy, Scanning Electron Microscopy (SEM) and X-ray Diffraction (XRD) techniques. The basic crystallite size calculated via XRD measurement was found to be similar to 10 nm and remain unaffected by the different concentration ratios. The coating of these structures was made over clean glass substrate and analyzed for wettability by measuring their water contact angles. Our analysis indicates that the coatings of hierarchical flower-like structures of gold are able to provide ultra hydrophilic properties to glass substrate. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Gold flower-like nanostructures, Ultra hydrophilic, Wettability}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2010.01.123}, author = {Dhumale, Vinayak A. and Shah, Preeti V. and Mulla, Imtiaz S. and Sharma, R. B.} } @article { ISI:000278592200024, title = {Syntheses, characterisation and vapour pressure of metallo-organic titanium precursor for MOCVD applications}, journal = {Inorganica Chimica Acta}, volume = {363}, number = {10}, year = {2010}, month = {JUN}, pages = {2243-2249}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Metallo-organic complexes of titanium such as [Ti(bzac)(2)(O(i)Pr)(2)] (1) and [Ti(bzac)(2)en(O(i)Pr)(2)] (2) were synthesised using 1-phenyl-1,3-butanedione (bzac) and the Schiff{\textquoteright}s base ligand N, N0-ethylene-bis(1-phenyl-1,3-butanediimine) [(bzac)(2)en]. A novel ligand 1-phenyl-3-N-(2-hydroxy-2-methylethylimino)-1-butanone (bzac1a2pol, 3) synthesised by condensing benzoylacetone (bzac) with 1-amino-2-propanol (1a2pol) was used in the synthesis of the complex bis(1-phenyl-3-N-(2-hydroxy-2-methylethylimino)-1-butanoato)titanium (IV), [Ti(bzac1a2pol)(2), 4]. These complexes were synthesised by replacing the isopropoxy group (O(i)Pr) of titanium tetra-isopropoxide, Ti(O(i)Pr)(4) by the appropriate ligands. Complexes 1, 2 and 4 were characterised for their volatility/thermal stability using TG/DTA and complex 4 was found to be volatile giving a residue of similar to 5.0\% (TG) at 377 degrees C and similar to 3.0\% (reduced pressure, 1 mbar) at 285 degrees C. Ligand 3 and its Ti complex 4 were characterised by (1)H NMR, (13)C NMR, elemental analysis, mass spectrometry and single crystal XRD. A value of 164.2 +/- 5.2 kJ mol(-1) for the standard enthalpy of sublimation (Delta H(sub)(0)) was evaluated for 4 from its vapour pressure. (C) 2010 Elsevier B. V. All rights reserved.

}, keywords = {MOCVD, Single crystal, Syntheses, Ti complexes, Vapour pressures, Volatile complexes}, issn = {0020-1693}, doi = {10.1016/j.ica.2010.03.033}, author = {Arockiasamy, S. and Manoj, Kochunnoonny and Bhadbhade, Mohan M. and Mallika, C. and Nagaraja, K. S.} } @article { ISI:000278319300033, title = {Synthesis and biodegradation studies of new copolymers based on sucrose derivatives and styrene}, journal = {European Polymer Journal}, volume = {46}, number = {5}, year = {2010}, month = {MAY}, pages = {1151-1157}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Novel unsaturated esters of sucrose were synthesised directly and in good yields from sucrose using a simple, mild, and selective Mitsunobu procedure. These regioisomerically pure vinyl sugars have been copolymerised with styrene by a free radical process, yielding unbranched linear polymer materials with pendant sucrose moieties. Their physical properties indicate that these polymers have potential technological relevance as amphiphilic and biodegradable materials. Biodegradation tests on the copolymer samples by a fungal (Aspergillus niger) culture method showed a fungal growth \>= 60\%, indicating good biodegradability and that the copolymers were partiallybio-assimilated during microbial attack. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Biodegradable copolymers, Biodegradation culture test, free radical copolymerization, Vinyl sucrose ester monomers}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2010.02.002}, author = {Barros, M. Teresa and Petrova, Krasimira T. and Singh, Raj P.} } @article { ISI:000278626400054, title = {Synthesis and biological evaluation of new 2-chloro-3-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)quinoline derivatives via click chemistry approach}, journal = {European Journal of Medicinal Chemistry}, volume = {45}, number = {7}, year = {2010}, month = {JUL}, pages = {3142-3146}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Synthesis of new 2-chloro-3-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)quinoline derivatives (4a-h) using 1,3-dipolar cycloaddition (click chemistry) reaction of 3-(azidomethyl)-2-chloro-quinoline derivatives (3a-h) with phenyl acetylene in the presence of Cu(I) catalyst has been achieved in very high yield. These molecules were evaluated in vitro for their antifungal and antibacterial activity. Most of the compounds exhibited significant antifungal and antibacterial activity against all the tested strains. (C) 2010 Elsevier Masson SAS. All rights reserved.

}, keywords = {1, 2, 2-Chloro3-formyl quinoline, 3-Triazole, Antibacterial, antifungal, Click chemistry}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2010.04.002}, author = {Kategaonkar, Amol H. and Shinde, Pravin V. and Kategaonkar, Atul H. and Pasale, Sharad K. and Shingate, Bapurao B. and Shingare, Murlidhar S.} } @article { ISI:000281369500037, title = {Synthesis and characterization of aromatic polyazomethines bearing pendant pentadecyl chains}, journal = {Polymer Degradation and Stability}, volume = {95}, number = {9}, year = {2010}, month = {SEP}, pages = {1727-1735}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Aromatic diamine monomer viz., 4-(4{\textquoteright}-aminophenoxy)-2-pentadecylbenzenamine containing pendant pentadecyl chain was synthesized starting from cashew nut shell liquid - a renewable resource material and was characterized by FTIR, (1)H and (13)C NMR spectroscopy. A series of new (co) polyazomethines containing pendant pentadecyl chains and flexibilizing ether linkages was synthesized by polycondensation of 4-(4{\textquoteright}-aminophenoxy)-2-pentadecyl benzenamine with commercially available aromatic dialdehydes viz., terephthaldehyde (TPA), isophthaldehyde (IPA) and varying mixture of TPA and IPA. Inherent viscosities and number average molecular weights of (co) polyazomethines were in the range 0.50-0.70 dL/g and 10,490-40-800 (GPC, polystyrene standard), respectively indicating formation of medium to reasonably high molecular weight polymers. (Co) polyazomethines containing pendant pentadecyl chains were found to be soluble in common organic solvents such as chloroform, dichloromethane, tetrahydrofuran, pyridine, m-cresol and could be cast into transparent and stretchable films from their solution in chloroform. (Co) polyazomethines were essentially amorphous in nature and the formation of loosely-developed layered structure was observed arising from the packing of pendant pentadecyl chains. Polyazomethines exhibited glass transition temperatures (T(g)) in the range 21-48 degrees C. The observed depression of glass transition temperature could be ascribed to the {\textquoteleft}{\textquoteleft}internal plasticization{\textquoteright}{\textquoteright} effect of pentadecyl chains. The temperature at 10\% wt loss (T(10)), determined from TGA in nitrogen atmosphere of polyazomethines were in the range 434-441 degrees C indicating their good thermal stability. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Cashew nut shell liquid, CNSL, pentadecyl, polyazomethines, renewable, Side-chain, solubility}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2010.05.017}, author = {More, Arvind S. and Sane, Prakash S. and Patil, Anandrao S. and Wadgaonkar, Prakash P.} } @article { ISI:000278744500055, title = {Synthesis and characterization of nanocrystalline zinc substituted nickel ferrites}, journal = {Journal of Alloys and Compounds}, volume = {496}, number = {1-2}, year = {2010}, month = {APR}, pages = {256-260}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Nanocrystalline zinc substituted nickel ferrites, Ni(1-x)Zn(x)Fe(2)O(4) (0.0 \<= x \<= 1.0) have been prepared by citrate gel auto-combustion method. The effect of zinc ion content on structural, electrical transport and magnetic properties has been studied. The X-ray diffraction (XRD) pattern revealed that, all the compositions possess single-phase spinel structure. The nano-sized grain structure formation was confirmed by transmission electron microscopy (TEM). The dc electrical resistivity shows the samples are semiconducting in nature. The magnetic measurements showed that the composition Ni(0.6)Zn(0.4)Fe(2)O(4) has maximum saturation magnetization (M(s)) while high coersivity (Hc) for ZnFe(2)O(4). Thermoelectric power measurement study showed that the compounds, with x \<= 0.4 are p-type and for x \> 0.4 behaves n-type conduction mechanism. (C) 2010 Published by Elsevier B.V.

}, keywords = {Electron microscopy, Magnetic, Sintering, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2010.01.009}, author = {Hankare, P. P. and Sankpal, U. B. and Patil, R. P. and Mulla, Imtiaz S. and Sasikala, R. and Tripathi, A. K. and Garadkar, K. M.} } @article { ISI:000279996500008, title = {Synthesis and characterization of new aromatic polyesters containing pendent naphthyl units}, journal = {Journal of Applied Polymer Science}, volume = {117}, number = {5}, year = {2010}, month = {SEP}, pages = {2545-2552}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Two bisphenols, viz., 4,4{\textquoteright}-[1-(2-naphthaleny-1)ethylidene]bisphenol and 4,4{\textquoteright}-[1-(2-naphthalenyl) ethylidene]bis-3-methylphenol were prepared by condensation of commercially available 2-acetonaphthanone with phenol and o-cresol, respectively. A series of new aromatic polyesters containing pendent naphthyl units was synthesized by phase-transfer-catalyzed interfacial polycondensation of these bisphenols with isophthaloyl chloride, terephthaloyl chloride, and a mixture of isophthaloyl chlorideiterephthaloyl chloride (50 : 50 mol \%). Inherent viscosities of polyesters were in the range 0.83-1.76 dL g(-1), while number average molecular weights (M(n)) were in the range 61,000-235,000 g mol(-1). Polyesters were readily soluble in organic solvents such as dichloromethane, chloroform, tetrahydrofuran, m-cresol, pyridine, N,N-dimethylformamide, N,N-dimethylacetarnide, and 1-methyl-2-pyrrolidinone at room temperature. Tough, transparent, and flexible films were cast from a solution of polyesters in chloroform. X-Ray diffraction measurements displayed a broad halo at 20 congruent to 19 degrees indicating the amorphous nature of polyesters. Glass transition temperatures of polyesters were in the range 209-259 degrees C. The temperature at 10\% weight loss (T(10)), determined by TGA in nitrogen atmosphere, of polyesters was in the range 435-500 degrees C indicating their good thermal stability. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 117: 2545-2552, 2010

}, keywords = {Aromatic polyesters, bisphenol, interfacial polycondensation, pendent naphthyl units}, issn = {0021-8995}, doi = {10.1002/app.32162}, author = {Honkhambe, Pandurang N. and Biyani, Mahesh V. and Bhairamadgi, Nagendra S. and Wadgaonkar, Prakash P. and Salunkhe, Manikrao M.} } @article { ISI:000276790500011, title = {Synthesis and characterization of new aromatic polyesters containing cardo decahydronaphthalene groups}, journal = {European Polymer Journal}, volume = {46}, number = {4}, year = {2010}, month = {APR}, pages = {709-718}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Three cardo bisphenols containing decahydronaphthalene group viz., 4,4{\textquoteright}-(octahydro-2(1H)-naphthylidene)bisphenol, 4,4{\textquoteright}-(octahydro-2(1H)-naphthylidene)bis-3-methylphenol and 4,4{\textquoteright}-(octahydro-2(1H)-naphthylidene)bis-3,5-dimethylphenol were synthesized starting from commercially available 2-naphthol and were utilized for synthesis of new aromatic polyesters by phase transfer-catalyzed interfacial polycondensation with isophthaloyl chloride, terephthaloyl chloride and a mixture of isophthaloyl chloride and terephthaloyl chloride (50:50 mol \%). Inherent viscosities and number average molecular weights (M(n)) of polyesters were in the range 0.35-0.84 dL/g and 13300-48,500 (Gel Permeation Chromatography, polystyrene standard), respectively. Polyesters were readily soluble in organic solvents such as dichloromethane, chloroform, tetrahydrofuran, meta-cresol, pyridine, N,N-dimethylformamide, N,N-dimethylacetamide, and 1-methy1-2-pyrrolidinone at room temperature and could be cast into tough, transparent and flexible films from their chloroform solutions. Wide-angle X-ray diffraction measurements revealed the amorphous nature of polyesters. The glass transition temperature of polyesters was in the range 207-287 degrees C. The temperature at 10\% weight loss (T(10)), determined from thermogravimetric analysis of polyesters, was in the range 425-460 degrees C indicating their good thermal stability. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {bisphenol, Cardo, Decahydronaphthalene, polyester, Structure-property relationship}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2009.12.028}, author = {Honkhambe, Pandurang N. and Bhairamadgi, Nagendra S. and Biyani, Mahesh V. and Wadgaonkar, Prakash P. and Salunkhe, Manikrao M.} } @article { ISI:000274839100053, title = {Synthesis and characterization of nickel selenide thin films deposited by chemical method}, journal = {Journal of Alloys and Compounds}, volume = {490}, number = {1-2}, year = {2010}, month = {FEB}, pages = {228-231}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Nickel selenide thin films have been deposited using chemical bath method on non-conducting glass substrates in a tartarate bath containing nickel sulphate octahydrate, hydrazine hydrate, sodium seleno-sulphate in an aqueous alkaline medium. The grown films were uniform, well adherent and black in color. The films were characterized using X-ray diffraction, scanning electron microscopy, optical absorption and electrical measurements. The nickel selenide thin film revealed polycrystalline nature with hexagonal system. The direct optical band gap of the film was found to be 1.61 eV. Electrical resistivity of film was observed in the order of 10(3) (Omega cm) with p-type conduction mechanism. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Crystal growth, Semiconductors, Thin films, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2009.09.132}, author = {Hankare, P. P. and Jadhav, B. V. and Garadkar, K. M. and Chate, P. A. and Mulla, Imtiaz S. and Delekar, S. D.} } @article { ISI:000278307300018, title = {Synthesis and characterization of novel aromatic-aliphatic polyamides from bis-[(4-aminobenzyl)-4-benzamide] ether}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {168}, number = {1-3, SI}, year = {2010}, note = {Conference on Specialty Advanced Materials and Polymers for Aerospace and Defense and Applications (SAMPADA-2008), Mat Res Soc Singapore, Singapore, SINGAPORE, JUL 03-08, 2005}, month = {APR}, pages = {111-116}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel aromatic diamine monomer containing preformed aromatic-aliphatic amide and ether linkage, bis-[(4-aminobenzyl)-4-benzamide] ether (BABE) was prepared from 2-phenylacetonitrile. BABE was characterized by FT-IR, (1)H NMR, (13)C NMR and mass spectrometry. Five new aromatic polyamides were prepared by low temperature solution polymerization from BABE and different mole proportions of isophthaloyl chloride (IPC) or terephthaloyl chloride (TPC). The resulting polymers were characterized by means of FT-IR, inherent viscosity [eta(inh)], solubility, differential scanning calorimetry [DSC], thermogravimetric analysis [TGA] and X-ray diffraction [XRD]. Polyamides were obtained in good yields and had moderate to high molecular weights as indicated by inherent viscosities in the range 0.63-1.35 dL/g in (DMAc + 4\% LiCl). XRD results showed the partly crystalline nature of polymers and these polymers dissolved in aprotic polar solvents containing LiCl. The solubility of copolyamides improved due to random placement of constituent IPC and TPC during polymerization. DSC analysis of these polyamides showed glass transition temperatures in the range of 197-204 degrees C, and they showed no weight loss below 336 degrees C when analyzed by TG. These polyamides have potential applications as engineering materials. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Bis-[(4-aminobenzyl)-4-benzamide] ether, ether linkage, Inherent viscosity, polyamides, thermal stability, XRD}, issn = {0921-5107}, doi = {10.1016/j.mseb.2009.10.016}, author = {Patil, A. S. and Medhi, M. and Sadavarte, Nilakshi V. and Wadgaonkar, P. P. and Maldar, Noormahamad N.} } @article {43153, title = {Synthesis and characterization of novel value added biodegradable poly(aleuritic acid) from renewable resources (shellac) and invertible amphiphilic behaviors in various solvents}, journal = {E-Polymers}, year = {2010}, month = {NOV}, abstract = {A novel biodegradable polymer poly(aleuritic acid) (PAA) ((M) over barw - 120,000) was prepared from aleuritic acid, which was obtained from renewable resources (Lac) by using tin catalyst. Aleuritic acid (AL) was protected at 9, 10 position by dimethoxy propane. The protected AL (Pro.AL) was further polymerized to obtain linear protected polyaleuritic acid (PAL) by dehydropolycondensation. Effects of various kinetic and thermodynamic parameters were studied. After polymerization, the deprotection of PAL was carried out. The synthesized PAL and PAA were characterized by using various techniques such as FT-IR, LC-MS, SEC, NMR (H-1 and C-13), C-13 CP/MAS (Cross Polarization / Magic Angle Spinning) of solid PAA, DSC, SEM and TEM etc. The micelle and inverted micelle -structure in polar and nonpolar solvents are highlighted.} } @article {42651, title = {Synthesis and characterization of novel value added biodegradable poly(aleuritic acid) from renewable resources(shellac) and invertible amphiphilic behaviors in various solvents}, journal = {E-Polymer}, year = {2010}, month = {NOV}, pages = {Article Number: 131}, abstract = {

A novel biodegradable polymer poly(aleuritic acid) (PAA) ( M̄w 120,000) was prepared from aleuritic acid, which was obtained from renewable resources (Lac) by using tin catalyst. Aleuritic acid (AL) was protected at 9, 10 position by dimethoxy propane. The protected AL (Pro.AL) was further polymerized to obtain linear protected polyaleuritic acid (PAL) by dehydropolycondensation. Effects of various kinetic and thermodynamic parameters were studied. After polymerization, the deprotection of PAL was carried out. The synthesized PAL and PAA were characterized by using various techniques such as FT-IR, LC-MS, SEC, NMR (1H and 13C), 13C CP/MAS (Cross Polarization / Magic Angle Spinning) of solid PAA, DSC, SEM and TEM etc. The micelle and inverted micelle -structure in polar and nonpolar solvents are highlighted

}, doi = {10.1515/epoly.2010.10.1.1476}, author = {Pandey, Asutosh K. and Nande, Smita S. and Selukar, Balaji S. and Garnaik, Baijayantimala} } @article { ISI:000276284200019, title = {Synthesis and characterization of polyamides containing pendant pentadecyl chains}, journal = {European Polymer Journal}, volume = {46}, number = {3}, year = {2010}, month = {MAR}, pages = {557-567}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new aromatic diacid monomer viz., 4-(4{\textquoteright}-carboxyphenoxy)-2-pentadecylbenzoic acid was synthesized starting from cardanol and was characterized by FTIR, (1)H- and (13)C NMR spectroscopy. A series of new aromatic polyamides containing ether linkages and pendant pentadecyl chains was prepared by phosphorylation polycondensation of 4-(4{\textquoteright}-carboxyphenoxy)-2-pentadecylbenzoic acid with five commercially available aromatic diamines viz., 1,4-phenylenediamine, 4,4{\textquoteright}-oxydianiline, 4,4{\textquoteright}-methylenedianiline, 1,3-phenylenediamine, and 4,4{\textquoteright}-(hexafluoroisopropylidene)dianiline. Inherent viscosities of the polyamides were in the range 0.45-0.66 dL/g in N,N-dimethylacetamide at 30 +/- 0.1 degrees C. The introduction of ether linkages and pendant pentadecyl chains into polyamides led to an enhanced solubility in N,N-dimethylacetamide and 1-methyl-2-pyrrolidinone at room temperature or upon heating. The polyamides could be solution-cast into tough, flexible and transparent films from their N,N-dimethylacetamide solution. Wide angle X-ray diffraction patterns exhibited broad halo indicating that the polymers were essentially amorphous in nature. X-Ray diffractograms also displayed a diffuse to sharp reflection in the small-angle region (20 = similar to 2-5 degrees) for the polyamides characteristics of formation of loosely to well-developed layered structure arising from packing of flexible pentadecyl chains. The glass transition temperature observed for the polyamides was in range 139-189 degrees C. The temperature at 10\% weight loss (T(10)), determined by TGA in nitrogen atmosphere, of the polyamides was in the range 425-453 degrees C indicating their good thermal stability. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {alkyl side-chain, Cardanol, Cashew nut shell liquid, Pentadecyl chains, polyamides}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2009.11.014}, author = {More, Arvind S. and Pasale, Sharad K. and Wadgaonkar, Prakash P.} } @article { ISI:000283103300014, title = {Synthesis and characterization of polyesters based on 1,1,1-[bis(4-hydroxyphenyl)-4 {\textquoteleft}-pentadecylphenyl]ethane}, journal = {Polymer International}, volume = {59}, number = {10}, year = {2010}, month = {OCT}, pages = {1408-1414}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

Aromatic polyesters are of considerable interest because of their excellent mechanical properties, chemical resistance and thermal stability. However, most aromatic polyesters are difficult to process due to their high glass transition temperatures coupled with their insolubility in common organic solvents. The present article describes a series of organosoluble polyesters and copolyesters based on 1,1,1-[bis(4-hydroxyphenyl)-4{\textquoteright}-pentadecylphenyl]ethane. A series of new aromatic polyesters containing pendant pentadecyl chains was synthesized by interfacial polycondensation of 1,1,1-[bis(4-hydroxyphenyl)-4{\textquoteright}-pentadecylphenyl]ethane with terephthalic acid chloride (TPC), isophthalic acid chloride (IPC) and a mixture of TPC and IPC. A series of copolyesters was synthesized from 4,4{\textquoteright}-isopropylidenediphenol with TPC by incorporating 1,1,1-[bis(4-hydroxyphenyl)-4{\textquoteright}-pentadecylphenyl]ethane as a comonomer. Inherent viscosities of the polyesters and copolyesters were in the range 0.72-1.65 dL g(-1) and number-average molecular weights were in the range 18 170-87 220. The polyesters and copolyesters containing pendant pentadecyl chains dissolved readily in organic solvents such as chloroform, dichloromethane, pyridine and m-cresol and could be cast into transparent, flexible and apparently tough films. Wide-angle X-ray diffraction data revealed the amorphous nature of the polyesters and copolyesters. The formation of loosely developed layered structure was observed due to the packing of pendant pentadecyl chains. The temperature at 10\% weight loss, determined using thermogravimetric analysis in nitrogen atmosphere, of the polyesters and copolyesters containing pendant pentadecyl chains was in the range 400-460 degrees C. The polyesters and copolyesters exhibited glass transition temperatures in the range 63-82 degrees C and 177-183 degrees C, respectively. (C) 2010 Society of Chemical Industry

}, keywords = {cashew nutshell liquid, CNSL, pentadecyl, polyesters, renewable}, issn = {0959-8103}, doi = {10.1002/pi.2883}, author = {More, Arvind S. and Naik, Parimal V. and Kumbhar, Kishor P. and Wadgaonkar, Prakash P.} } @article { ISI:000278307300032, title = {Synthesis and characterization of polyesters from 2,3-bis (4 {\textquoteleft}-hydroxy phenyl) quinoxaline and 2,3-bis (2 {\textquoteleft}-hydroxynaphthalene-6 {\textquoteleft}-yl) quinoxaline}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {168}, number = {1-3, SI}, year = {2010}, note = {Conference on Specialty Advanced Materials and Polymers for Aerospace and Defense and Applications (SAMPADA-2008), Mat Res Soc Singapore, Singapore, SINGAPORE, JUL 03-08, 2005}, month = {APR}, pages = {186-192}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Two bisphenols containing pendant, quinoxaline moiety; 2,3-bis (4{\textquoteright}-hydroxy phenyl) quinoxaline (BHPQ) and 2,3-bis (2{\textquoteright}-hydroxynaphthalene-6-yl) quinoxaline (BHNQ) were synthesized and characterized by FT-IR, (1)H, (13)C NMR and mass spectrometry. Aromatic polyesters and copolyesters were prepared by interfacial polymerization from BHPQ or BHNQ and isophthaloyl chloride or terephthaloyl chloride or a mixture of different mole proportions of (IPC + TPC). These polyesters and copolyesters were characterized by spectroscopic technique, viscosity measurement, solubility, thermal stability. DSC and XRD. Polymers had moderate to high molecular weights as evidenced by the inherent viscosities in the range 0.35-0.78 dL/g for BHPQ series and 0.27-0.52 dL/g for BHNQ series. BHPQ polyesters and copolyesters dissolved in m-cresol, NMP and conc. H(2)SO(4) whereas, BHNQ polyesters and copolyesters were readily soluble in NMP, DMAc, (TCE + phenol) and partly soluble in solvent like CHCl(3), pyridine, etc. Wide angle X-ray diffraction (WAXD) results showed that introduction of quinoxaline moiety into polymer chain and aromatic phenyl/rigid naphthyl structures lead to crystalinity. Differentional scanning calorimetry of BHNQ polyesters showed the glass transition temperatures in the range of 131-151 degrees C. BHPQ polyesters did not show any weight loss below 330 degrees C and retained 27-55\% weight at 900 degrees C when investigated by TGA under nitrogen atmosphere demonstrating good thermal stability BHNQderived polyesters showed initial decomposition temperatures in range 211-234 degrees C. The structure-property relationships for the mentioned polyesters are analyzed, as these polyesters are of interest as materials for electronics, microelectronics and membrane separation. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {2, 3-Bis (2 {\textquoteleft}-hydroxynaphthalene-6 {\textquoteleft}-yl) quinoxaline, 3-Bis (4 {\textquoteleft}-hydroxy phenyl) quinoxaline, Aromatic polyesters, Glass transition temperature, solubility, Thermal properties}, issn = {0921-5107}, doi = {10.1016/j.mseb.2009.12.036}, author = {Patil, V. B. and Medhi, M. and Bhairamadgi, Nagendra S. and Wadgaonkar, P. P. and Maldar, Noormahamad N.} } @article { ISI:000276562300063, title = {Synthesis and characterization of poly-L-lysine-grafted silica nanoparticles synthesized via NCA polymerization and click chemistry}, journal = {Langmuir}, volume = {26}, number = {8}, year = {2010}, month = {APR}, pages = {5772-5781}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Polypeptide polymer-grafted silica nanoparticles are of considerable interest because the ordered secondary structure of the polypeptide grafts imparts novel functional properties onto the nanoparticle composite. The synthesis of poly-L-lysine-grafted nanoparticles would be of particular interest because the high density of cationic charges on the surface could lead to many applications such as gene delivery and antimicrobial agents. In this work, we have developed a {\textquoteleft}{\textquoteleft}grafting-to{\textquoteright}{\textquoteright} approach using a combination of NCA polymerization and {\textquoteleft}{\textquoteleft}click chemistry{\textquoteright}{\textquoteright} to synthesize poly-L-lysine-grafted silica nanoparticles with a high graft density of 1 chain/nm(2). The covalent attachment of poly-L-lysine to silica nanoparticles (PLL-silica) was confirmed using a variety of techniques such as C-13 CP MAS NMR, TGA, and IR. This methodology was then extended to graft poly-L-lysine-b-poly-L-leucine copolymer (PLL-b-PLLeu-silica) and poly-L-benzylglutamate (PLUG silica) onto silica nanoparticles. All of these polypeptide-grafted nanoparticles show interesting aggregation properties in solution. The efficacy of PLL-silica and PLL-h-PLLeu-silica as antimicrobial agents was tested on both gram-negative B. cull and grain-positive Bacillus subtilis.

}, issn = {0743-7463}, doi = {10.1021/la903595x}, author = {Kar, Mrityunjov and Vijayakumar, P. S. and Bhagavatula L. V. Prasad and Sen Gupta, Sayam} } @article { ISI:000279836400026, title = {Synthesis and characterization of polyurethane-grafted single-walled carbon nanotubes via click chemistry}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {10}, number = {9}, year = {2010}, month = {SEP}, pages = {5700-5707}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Polyurethane (PU)-grafted carbon nanotubes were synthesized by the coupling of alkyne moiety decorated single walled carbon nanotube (SWCNT) with azide moiety containing PU using Cu(I) catalyzed Huisgen [3 + 2] cycloaddition click chemistry. The azide moiety containing poly(E-caprolactone)diol was synthesized by ring-opening polymerization and further used for PU synthesis. Alkyne-functionalizion of SWCNT was completed by the reaction of p-aminophenyl propargyl ether with SWCNT using a solvent free diazotization procedure. Nuclear magnetic resonance, Fourier transform infrared, and Raman spectroscopic measurements confirmed the functionalization of SWCNT. Scanning electron microscopy and transmission electron microscopy images showed an excellent dispersion of SWCNTs, and specially debundling of SWCNTs could be observed due to polymer assisted dispersion. A quantitative grafting was successfully achieved even at high content of functional groups.

}, keywords = {Carbon nanotubes, Click chemistry, dispersion, polyurethane}, issn = {1533-4880}, doi = {10.1166/jnn.2010.2434}, author = {Rana, Sravendra and Cho, Jae Whan and Kumar, Indresh} } @article { ISI:000273175100013, title = {Synthesis and corrosion protection aspects of poly(o-toluidine)/CdO nanoparticle composite coatings on mild steel}, journal = {Journal of Coatings Technology and Research}, volume = {7}, number = {1}, year = {2010}, month = {JAN}, pages = {119-129}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

This study examines the possibility of using poly(o-toluidine)/CdO (POT-CdO) nanoparticle composite coating for corrosion protection of mild steel in chloride environment. The POT-CdO nanoparticle composite coating was synthesized on mild steel from aqueous tartrate solution containing CdO-nanoparticles (size similar to 18 nm) by using cyclic voltammetry. These coatings were characterized by cyclic voltammetry, UV-Visible absorption spectroscopy, Fourier transform infrared spectroscopy, scanning electron microscopy, and X-ray diffraction measurements. The corrosion protection aspects of the resulting POT-CdO nanocomposite structure were investigated in aqueous 3\% NaCl solution by potentiodynamic polarization technique and electrochemical impedance spectroscopy. The results of these investigations reveal that the POT-CdO nanoparticle composite acts as a protective coating on mild steel and reduces the corrosion rate of mild steel almost by factor of 70.

}, keywords = {CdO, Conducting polymer coatings, Corrosion resistant coatings, cyclic voltammetry, Electrochemical polymerization, Mild steel, Nanocomposites, Poly(o-toluidine)}, issn = {1547-0091}, doi = {10.1007/s11998-008-9160-2}, author = {Chaudhari, Sudeshna and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000277091700039, title = {Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)}, journal = {Crystengcomm}, volume = {12}, number = {5}, year = {2010}, month = {JAN}, pages = {1600-1609}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of fluorinated metal-organic frameworks (F-MOFs) have been successfully synthesized under hydrothermal condition using 4,40-(hexafluoroisopropylidene) bis(benzoic acid) (C(17)H(10)F(6)O(4), H(2)hfbba) as a flexible dicarboxylate building block, Cu(+2) and various heterocyclic co-ligands. These F-MOFs formulated as [Cu(hfbba)(phen)(2)]center dot 2(H(2)hfbba)(H(2)O)(HCO(2)) (F-MOF-1), [Cu(hfbba)(2)(2,2{\textquoteright}-bipy) 2(H(2)O)] (F-MOF-2), [Cu(hfbba)(4,4{\textquoteright}-dime-2,2{\textquoteright}-bipy)(HCO(2))]center dot(hfbba)(H(2)O) (F-MOF-3), [Cu(2)(hfbba)(2)(3-mepy)(2)]center dot(DMF) 2(3-mepy) (F-MOF-4), and [Cu(hfbba)(2)(phen)(2)]center dot 0.5(DMF) (F-MOF5) (hfbba = 4,4{\textquoteright}-(Hexafluoroisopropylidene) bis(benzoate), phen 1,1{\textquoteright}-phenanthroline; 2,2{\textquoteright}-bipy 2,2{\textquoteright}-bipyridine; 4,4{\textquoteright}dime-2,2{\textquoteright}-bipy 4,4{\textquoteright}-dimethyl 2,2{\textquoteright}-bipyridine; 3-mepy 3-methyl-pyridine and DMF dimethyl formamide) display interesting H-bonded, 1D and 2D structural features. All these F-MOFs were structurally determined by single-crystal X-ray diffraction. F-MOF-1 and 5 form a distorted octahedral Cu(+2) secondary building unit (SBU). F-MOF-5 forms a one-dimensional architecture constructed from Cu(2+) ions bridged by phen anions and two types of 4 hfbba ligands while in F-MOF-1, two among the three acid co-ligands are not coordinated with Cu(2+) ions. F-MOF-2 displays dinuclear SBUs within the three-dimensional frameworks whereas F-MOF-3 displays mononuclear SBUs and forms a one-dimensional chain. F-MOF-4 display a interesting 2D framework with conventional Cu(2)(CO(2))(4) paddle wheel SBU. In the crystal structures four hfbba ligands, each coordinated to a dicopper paddlewheel unit via one of their carboxylate groups. Solid-state properties such as UV-vis and thermal stability of F-MOF-1-5 have also been studied.

}, issn = {1466-8033}, doi = {10.1039/b917483d}, author = {Pachfule, Pradip and Dey, Chandan and Panda, Tamas and Banerjee, Rahul} } @article { ISI:000282663700004, title = {Synthesis of acrolein by gas-phase dehydration of glycerol over silica supported bronsted acidic ionic liquid catalysts}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {85}, number = {10}, year = {2010}, month = {OCT}, pages = {1319-1324}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

BACKGROUND: Glycerol has become readily available as a byproduct from the biodiesel industry. High functionality and relatively low price make it a potential building block to produce value-added derivatives such as acrolein. RESULTS: Dehydration of glycerol to acrolein was performed over several silica supported Bronsted acidic ionic liquids as catalysts. All the catalysts prepared were active for the synthesis of acrolein (conversion of glycerol was observed in the range 35-90\% with selectivity to acrolein in the range 29-58\%). CONCLUSIONS: Catalyst prepared from triphenyl (3-sulfopropyl) phosphonium 4-methylbenzenesulfonate gave good activity and selectivity at 4 h reaction time. The conversion of glycerol decreased with increase in glycerol concentration. Higher temperature (325 degrees C) resulted in significantly lower conversion as well as selectivity to acrolein. With the use of two additional traps cooled to -7 degrees C, the selectivity to acrolein increased significantly for good catalysts. (C) 2010 Society of Chemical Industry

}, keywords = {acidic ionic liquids, acrolein, glycerol dehydration, supported catalyst}, issn = {0268-2575}, doi = {10.1002/jctb.2434}, author = {Munshi, Mudassir K. and Lomate, Samadhan T. and Deshpande, Raj Madhukar and Rane, Vilas H. and Kelkar, Ashutosh A.} } @article { ISI:000276909600011, title = {Synthesis of aculeatins A and B via iterative hydrolytic kinetic resolution}, journal = {Synthesis-Stuttgart}, number = {9}, year = {2010}, month = {MAY}, pages = {1479-1484}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A simple and concise approach for the synthesis of aculeatins A and B starting from (+/-)-epichlorohydrin is described. The synthetic strategy features Jacobsen{\textquoteright}s hydrolytic kinetic resolution and a Linchpin coupling as key steps.

}, keywords = {aculeatins, Epoxide, Hydrolytic kinetic resolution, Linchpin coupling, spirocyclization}, issn = {0039-7881}, doi = {10.1055/s-0029-1218687}, author = {Harbindu, Anand and Kumar, Pradeep} } @article { ISI:000276083200006, title = {Synthesis of azepane and nojirimycin iminosugars: the sharpless asymmetric epoxidation of D-glucose-derived allyl alcohol and highly regioselective epoxide ring opening using sodium azide}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {2}, year = {2010}, month = {FEB}, pages = {163-170}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The Sharp less asymmetric epoxidation of D-glucose-derived ally! alcohol 4 afforded alpha- and beta-epoxides 5a and 5b in high stereoselectivity. The epoxide ring opening in 5a/5b was studied with different nucleophilic azido reagents, under various reaction conditions, and was found to be highly regioselective to give the preferential formation of 6-azido diol 6a/6b over 5-azido-diol 7a/7b. The 6-azido diol 6a/6b and 5-azido dial 7a/7b thus obtained were converted to the corresponding seven- and six-membered iminosugar, namely, azepane 1a/1b and 1-deoxy-nojirimycin 2a/2b. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.01.007}, author = {Jadhav, Vrushali H. and Bande, Omprakash P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000283124800028, title = {Synthesis of bio-compatible SPION-based aqueous ferrofluids and evaluation of radiofrequency power loss for magnetic hyperthermia}, journal = {Nanoscale Research Letters}, volume = {5}, number = {10}, year = {2010}, month = {OCT}, pages = {1706-1711}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Bio-compatible magnetic fluids having high saturation magnetization find immense applications in various biomedical fields. Aqueous ferrofluids of superparamagnetic iron oxide nanoparticles with narrow size distribution, high shelf life and good stability is realized by controlled chemical co-precipitation process. The crystal structure is verified by X-ray diffraction technique. Particle sizes are evaluated by employing Transmission electron microscopy. Room temperature and low-temperature magnetic measurements were carried out with Superconducting Quantum Interference Device. The fluid exhibits good magnetic response even at very high dilution (6.28 mg/cc). This is an advantage for biomedical applications, since only a small amount of iron is to be metabolised by body organs. Magnetic field induced transmission measurements carried out at photon energy of diode laser (670 nm) exhibited excellent linear dichroism. Based on the structural and magnetic measurements, the power loss for the magnetic nanoparticles under study is evaluated over a range of radiofrequencies.

}, keywords = {Magnetic heating, Magnetic hyperthermia, Magnetic relaxation, Power loss, Superparamagnetism}, issn = {1931-7573}, doi = {10.1007/s11671-010-9729-4}, author = {Mary, Antony P. Reena and Narayanan, T. N. and Sunny, Vijutha and Sakthikumar, D. and Yoshida, Yasuhiko and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000276490800006, title = {Synthesis of eight-membered iminocyclitols from D-glucose}, journal = {Tetrahedron}, volume = {66}, number = {15}, year = {2010}, month = {APR0}, pages = {2830-2834}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The Baylis-Hillman reaction of 3-o-benzyl-alpha-d-xylo-pentodialdo-1,4-furanose 2 afforded a diastereomeric mixture of L-ido- and D-gluco-configurated alpha-methylene-beta-hydroxy esters 3a and 3b, respectively, in 1:1 ratio. Conjugate addition of benzyl amine on 3a gave adduct 4a as a major product while, addition of benzyl amine to 3b gave only one diastereomer 4b. Reduction of ester functionality in 4a/4b, opening of 1,2-acetonide functionality followed by reductive amino-cyclization under hydrogenation condition afforded azocanes 1c/1d in good yield. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Baylis-Hillman reaction, Conjugate addition, diastereoselectivity, Iminosugars}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.02.044}, author = {Jadhav, Vrushali H. and Bande, Omprakash P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000276957700010, title = {Synthesis of ethyl acetate by esterification of acetic acid with ethanol over a heteropolyacid on montmorillonite K10}, journal = {Journal of Natural Gas Chemistry}, volume = {19}, number = {2}, year = {2010}, month = {MAR}, pages = {161-164}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In present work, liquid phase esterification of acetic acid with ethanol over dodecatungestophosphoric acid (DTPA) supported on K10 mommorillonite was systematically studied and optimization of process parameters was carried out The 20\% m/m urpAtK tO was found to be the optimum catalyst with 90\% acetic acid conversion and 100\% ethyl acetate selectivity The study was also explored to see the feasibility of 20\% m/m DTPA/K10 as a catalyst for the alkylation of acetic acid with other alcohols like methanol, iso-propanol and sr-butanol. The 20\% m/m DTPA/K10 has shown increased activity with the increase in carbon number, at the same alcohol reflux The results are novel

}, keywords = {Acetic acid, Ethanol, ethyl acetate, Heteropolyacid, montmorillonite K10}, issn = {1003-9953}, doi = {10.1016/S1003-9953(09)60048-7}, author = {Gurav, Hanumant and Bokade, Vijay V.} } @article { ISI:000276804800005, title = {Synthesis of (-)-galantinic acid via iterative hydrolytic kinetic resolution and tethered aminohydroxylation}, journal = {Tetrahedron}, volume = {66}, number = {17}, year = {2010}, month = {APR}, pages = {3159-3164}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new synthetic strategy for (-)-galantinic acid is reported using iterative hydrolytic kinetic resolution and tethered aminohydroxylation as the key steps. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2-Aminoalcohol, 3-Diol, Iterative hydrolytic kinetic resolution, selectivity, Tethered aminohydroxylation}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.02.093}, author = {Dubey, Abhishek and Kauloorkar, Shruti Vandana and Kumar, Pradeep} } @article { ISI:000276573700013, title = {Synthesis of hybrid 1,2,3-triazolo-delta-lactams/lactones using Huisgen [3+2] cycloaddition {\textquoteleft}click-chemistry{\textquoteright} in water}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {3}, year = {2010}, month = {MAR}, pages = {352-355}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of a new class of hybrid 1,2,3-triazozlo-delta-lactams/lactones has been achieved using the Huisgen [3+2] dipolar cycloaddition {\textquoteleft}click-chemistry{\textquoteright} reaction of various organic azides with an activated alkyne in water, followed by cyclization. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.02.002}, author = {Kumar, Indresh and Rana, Sravendra and Cho, Jae Whan and Rode, Chandrashekhar V.} } @article { ISI:000277119800027, title = {Synthesis of hydrophilic and amphiphilic acryl sucrose monomers and their copolymerisation with styrene, methylmethacrylate and alpha- and beta-pinenes}, journal = {International Journal of Molecular Sciences}, volume = {11}, number = {4}, year = {2010}, month = {APR}, pages = {1792-1807}, publisher = {MDPI AG}, address = {POSTFACH, CH-4005 BASEL, SWITZERLAND}, abstract = {

Herein, we report the synthesis of monomethacryloyl sucrose esters, and their successful free radical homo- and co-polymerisation with styrene, methylmethacrylate, alpha- and beta-pinene. The chemical, physical, structural and surface chemical properties of these polymers, containing a hydrophobic olefin backbone and hydrophilic sugar moieties as side chains, have been investigated. Biodegradation tests of the copolymer samples by a microbial fungal culture (Aspergillus niger) method showed good biodegradability. The chemical structure and surface chemistry of the synthesized homo- and co-polymers demonstrate their potential technological relevance as amphiphilic and biodegradable polymers.

}, keywords = {Biodegradable copolymers, Biodegradation culture test, free radical copolymerization, Vinyl sucrose ester monomers}, issn = {1422-0067}, doi = {10.3390/ijms11041792}, author = {Barros, Maria Teresa and Petrova, Krasimira T. and Singh, Raj P.} } @article { ISI:000278128500009, title = {Synthesis of optically pure 2,3,4-trisubstituted tetrahydrofurans via a two-step sequential Michael-Evans aldol cyclization strategy: total synthesis of (+)-magnolone}, journal = {Tetrahedron Letters}, volume = {51}, number = {22}, year = {2010}, month = {JUN}, pages = {2975-2978}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Synthesis of optically pure 2,3,4-trisubstituted tetrahydrofurans is described employing a two-step Michael-Evans aldol cyclization strategy. The approach is successfully applied for the total synthesis of furano lignan natural product (+)-magnolone. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {HWE reaction, Lignans, Magnolone, Michael-Evans aldol reaction, Tetrahydrofuran}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.03.111}, author = {Pandey, Ganesh and Luckorse, Srikanth and Budakoti, Asha and Puranik, Vedavati G.} } @article { ISI:000282106400009, title = {Synthesis of (R)-coniine and (S)-coinicine via organocatalytic alpha-aminoxylation of an aldehyde}, journal = {Synthesis-Stuttgart}, number = {18}, year = {2010}, month = {SEP}, pages = {3105-3112}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A short and efficient synthesis of the indolizidine alkaloid (S)-coinicine has been achieved using organocatalytic sequential alpha-aminoxylation and Horner-Wadsworth-Emmons olefination of an aldehyde catalyzed by L-proline. Similarly, a common organocatalytic alpha-aminoxylation route has been developed for the asymmetric synthesis of both (R)-coniine and (S)-coinicine.

}, keywords = {hemlock alkaloids, organocatalysis, Proline, sequential reactions, synthesis}, issn = {0039-7881}, doi = {10.1055/s-0030-1257869}, author = {Kondekar, Nagendra B. and Kumar, Pradeep} } @article { ISI:000280514500009, title = {Synthesis of Rh-carbon nanotube based heterostructures and their enhanced field emission characteristics}, journal = {Chemical Communications}, volume = {46}, number = {31}, year = {2010}, month = {JUL}, pages = {5671-5673}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Selective decoration of Rh nanospheres on acid functionalized carbon nanotubes has been demonstrated using Al as a sacrificial substrate. Remarkable field emission has been observed for this heterostructure as a high current density of 170 mu A cm(-2) is generated at an ultra-low threshold of 300 V mu m(-1), compared to much smaller values for Rh nanospheres and carbon nanotubes separately.

}, issn = {1359-7345}, doi = {10.1039/c0cc01532f}, author = {Sathe, Bhaskar R. and Kakade, Bhalchandra A. and Kushwaha, Ajay and Aslam, Mohammed and Pillai, Vijayamohanan K.} } @article { ISI:000275756700010, title = {Synthesis of the antibacterial benzoquinone primin and its water-soluble analogue, primin acid}, journal = {Synthesis-Stuttgart}, number = {7}, year = {2010}, month = {APR}, pages = {1141-1144}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The biologically active natural product, primin and its water-soluble acid analogue, primin acid are prepared in 34\% and 25\% overall yields, respectively, from a common intermediate using a Grignard reaction and a Johnson-Claisen rearrangement as the key steps.

}, keywords = {1, 4-benzoquinones, Antibacterial, Johnson-Claisen rearrangement, primin, primin acid}, issn = {0039-7881}, doi = {10.1055/s-0029-1218666}, author = {Bhattacharya, Asish K. and Kaur, Tanpreet and Ganesh, Krishna N.} } @article { ISI:000279126700017, title = {Synthesis, resolution, and applications of 3-amino-2,2-dimethy1-1,3-diphenylpropan-1-ol, a conformationally restricted 1,3-aminoalcohol}, journal = {Tetrahedron}, volume = {66}, number = {27-28}, year = {2010}, month = {JUL}, pages = {5036-5041}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Efficient synthetic routes to both syn and anti diastereomers of a conformationally restricted 1,3-aminoalcohol were devised. Resolution of the aminoalcohols was accomplished through diastereomeric salt with R-(-)-O-acetyl mandelic acid. These aminoalcohols were examined as ligands for two standard reactions, namely, enantioselective addition of Et(2)Zn to aldehydes and reduction of prochiral ketones with BH(3). (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {1, 3-Aminoalcohol, Aldol-Tishchenko reaction, Diethylzinc, Oxazaborinane, Resolution}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.05.001}, author = {Patil, M. N. and Gonnade, Rajesh G. and Joshi, Navalkishore N.} } @article { ISI:000287801700007, title = {Synthetic studies of superstolide A: a carbohydrate based synthesis of the C21-C26 segment}, journal = {Letters in Organic Chemistry}, volume = {7}, number = {8}, year = {2010}, month = {DEC}, pages = {657-660}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

The synthesis of C21-C26 fragment of superstolide A, starting from D-glucose diacetonide, involving regioselective ring opening of epoxide by Grignard reagent and regioselective stereospecefic hydroboration oxidation has been described.

}, keywords = {Chiral pool, Potent cytotoxic, Regioselective epoxide opening, Stereoselective hydroboration-oxidation, Superstolide A}, issn = {1570-1786}, doi = {10.2174/157017810793811704}, author = {Pal, Rita and Rahaman, Hasibur and Mohapatra, Debendra K. and Gurjar, Mukund K.} } @article { ISI:000282106600012, title = {Synthetic view of an analogue of the spiro-beta-lactone-gamma-lactam ring in oxazolomycins and lajollamycin}, journal = {Synthesis-Stuttgart}, number = {19}, year = {2010}, month = {OCT}, pages = {3301-3308}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Herein, we describe a new synthetic strategy towards an analogue of the spiro-beta-lactone-gamma-lactam ring found in a class of potent antibiotics, the oxazolomycins and lajollamycin. The synthetic idea relies on the construction of two rings (beta-lactone and pyrrolidinone). The formation of the spiro-beta-lactone was accomplished by a crossed Cannizzaro reaction, while the 3,4-disubstituted pyrrolidinone ring was constructed by a titanium(IV) chloride mediated chelation-controlled double stereodifferentiating Crimmins aldol reaction of Garner{\textquoteright}s aldehyde.

}, keywords = {Crimmins aldol reaction, crossed Cannizzaro reaction, Garner{\textquoteright}s aldehyde, lactones, Mitsunobu reaction, pyrrolidine}, issn = {0039-7881}, doi = {10.1055/s-0030-1257872}, author = {Mondal, Dhananjoy and Bera, Smritilekha} } @article { ISI:000282259600001, title = {Systems approach to investigating host-pathogen interactions in infections with the biothreat agent Francisella. constraints-based model of Francisella tularensis}, journal = {BMC Systems Biology}, volume = {4}, year = {2010}, month = {AUG}, pages = {118}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: Francisella tularensis is a prototypic example of a pathogen for which few experimental datasets exist, but for which copious high-throughout data are becoming available because of its re-emerging significance as biothreat agent. The virulence of Francisella tularensis depends on its growth capabilities within a defined environmental niche of the host cell. Results: We reconstructed the metabolism of Francisella as a stoichiometric matrix. This systems biology approach demonstrated that changes in carbohydrate utilization and amino acid metabolism play a pivotal role in growth, acid resistance, and energy homeostasis during infection with Francisella. We also show how varying the expression of certain metabolic genes in different environments efficiently controls the metabolic capacity of F. tularensis. Selective gene-expression analysis showed modulation of sugar catabolism by switching from oxidative metabolism (TCA cycle) in the initial stages of infection to fatty acid oxidation and gluconeogenesis later on. Computational analysis with constraints derived from experimental data revealed a limited set of metabolic genes that are operational during infection. Conclusions: This integrated systems approach provides an important tool to understand the pathogenesis of an ill-characterized biothreat agent and to identify potential novel drug targets when rapid target identification is required should such microbes be intentionally released or become epidemic.

}, issn = {1752-0509}, doi = {10.1186/1752-0509-4-118}, author = {Raghunathan, Anu and Shin, Sookil and Daefler, Simon} } @article { ISI:000290745300004, title = {Scaling laws for gas-solid riser flow through two-fluid model simulation}, journal = {Particuology}, volume = {9}, number = {2}, year = {2011}, month = {APR}, pages = {121-129}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Scale up of gas-solid circulating fluidized bed (CFB) risers poses many challenges to researchers. In this paper, CFD investigation of hydrodynamic scaling laws for gas-solid riser flow was attempted on the basis of two-fluid model simulations, in particular, the recently developed empirical scaling law of Qi, Zhu, and Huang (2008). A 3D computational model with periodic boundaries was used to perform numerical experiments and to study the effect of various system and operating parameters in hydrodynamic scaling of riser flow. The Qi scaling ratio was found to ensure similarity in global parameters like overall cross-sectional average solid holdup or pressure drop gradient. However, similarity in local flow profiles was not observed for all the test cases. The present work also highlighted the significance of error bars in reporting experimental values. (C) 2010 Chinese Society of Particuology and Institute of Process Engineering, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

}, keywords = {CFD, Error bar, Periodic boundary, Risers, Scaling, Two-fluid model}, issn = {1674-2001}, doi = {10.1016/j.partic.2010.09.010}, author = {Naren, P. R. and Ranade, Vivek. V.} } @article { ISI:000287996100027, title = {Selective catalytic oxidation of geraniol to citral with molecular oxygen in supercritical carbon dioxide}, journal = {Applied Catalysis A-General}, volume = {394}, number = {1-2}, year = {2011}, month = {FEB}, pages = {209-214}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Selective catalytic oxidation of geraniol to citral with molecular oxygen in supercritical carbon dioxide (scCO(2)) has been investigated. The catalyst used was a chromium containing mesoporous molecular sieve catalyst viz. CrMCM-41. Comparison studies were performed with CoMCM-41. PtMCM-41 and PdMCM-41 catalysts. Among the various catalysts studied. CrMCM-41 showed a high conversion of geraniol and an excellent selectivity for citral. In contrast CoMCM-41, PtMCM-41 and PdMCM-41 catalysts exhibited low conversion of geraniol. However all three catalysts compared showed similar citral selectivity to CrMCM-41. The effect of CO(2) pressure and reaction temperature geraniol oxidation was studied with CrMCM-41. Supercritical CO(2) medium was found to enhance the conversion of geraniol and/or yield of citral. It was noticed that the catalyst can be recycled with negligible loss of conversion. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Citral, Geraniol, heterogeneous catalyst, Molecular oxygen, Selective oxidation, Supercritical carbon dioxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.01.001}, author = {Dapurkar, Sudhir E. and Kawanami, Hajime and Chatterjee, Maya and Rode, Chandrasekhar V. and Yokoyama, Toshirou and Ikushima, Yutaka} } @article { ISI:000293492300025, title = {Selective epoxidation of methyl soyate over alumina-supported group VI metal oxide catalysts}, journal = {Applied Catalysis A-General}, volume = {401}, number = {1-2}, year = {2011}, month = {JUL}, pages = {189-198}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Epoxidation of methyl soyate (biodiesel), soybean oil and oleic acid with tert.-butyl hydroperoxide (TBHP) was investigated over gamma-alumina-supported group VI metal oxides (CrOx/Al2O3, MoOx/Al2O3 and WOx/Al2O3) prepared by impregnation method. The studies revealed that 15 wt\% MoOx on gamma-Al2O3 was the most active catalyst (conversion \>90 mol\% under optimized conditions). While MoOx/Al2O3 is selective mainly for epoxidation, the other catalysts are active for epoxidation as well as for decomposition of TBHP. The active species on the catalyst surface were investigated using in situ UV-visible spectroscopy. A linear correlation was observed between epoxidation activity and surface acidity of the catalyst. A new H-1 NMR method was developed to monitor the progress of epoxidation reaction which was found to be superior to gas chromatographic method in estimating the conversion of double bonds of fatty compounds. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Alumina-supported group VI metal oxides, Biodiesel, epoxidation, Fatty acids, H-1 NMR spectroscopy, MoOx/Al2O3, Vegetable oil}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.05.021}, author = {Satyarthi, Jitendra K. and Srinivas, D.} } @article { ISI:000291421400015, title = {Selective hydrogenation of chloronitrobenzenes with an MCM-41 supported platinum allyl complex derived catalyst}, journal = {Applied Catalysis A-General}, volume = {399}, number = {1-2}, year = {2011}, month = {MAY}, pages = {117-125}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A platinuin precatalyst (1) has been prepared by reacting [(eta(3)-C3H5)(4)Pt4Cl4] with surface functionalized MCM-41 with pendant -(CH2)(3)NH(CH2)(2)NH2 groups. For the hydrogenation of o-, m- and p-chloronitrobenzenes to the corresponding chloroanilines, 1 is found to be a highly active catalyst with good selectivities for them-and p-isomers. Its performance is superior to that of its palladium analogue and far superior to that of commercial (5\%) Pt/C or (5\%) Pt/Al2O3. Comparison of solid state and solution NMR data and other evidences indicate that on treatment with the functionalized MCM-41 support; [(eta(3)-C3H5)(4)Pt4Cl4] loses the ally! ligand. XPS data show that in the fresh catalyst Pt is present in the 2+ oxidation state. Based on these and analytical data, co-ordination by surface diamine and hydroxo groups to Pt2+ in 1 is suggested. In the used catalyst both Pt2+ and Pt are present but the amount of metallic platinum is similar to 16\% of the total. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Chloronitrobenzenes, Dehydrohalogenation, heterogeneous catalyst, MCM-41, Selective hydrogenation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.03.044}, author = {Indra, Arindam and Rajamohanan, Pattuparambil R. and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000293419700042, title = {Selectivity tailoring in liquid phase oxidation over MWNT-Mn3O4 nanocomposite catalysts}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {31}, year = {2011}, month = {AUG}, pages = {15440-15448}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Highly selective multiwalled nanotubes (MWNT)-Mn3O4 nano-composite catalyst was designed for liquid phase oxidation of p-cresol, which gave highest selectivity of 90\% to the first step oxidation product, p-hydroxy benzyl alcohol. Mn3O4 nanoparticles and MWNT-Mn3O4 nanocomposites were synthesized by coprecipitation route using mixed precursors under controlled conditions. The phase purity of Mn3O4 and the formation of MWNT-Mn3O4 nanocomposites were confirmed by X-ray diffraction, Raman spectroscopy, and X-ray photoelectron spectroscopy. High-resolution transmission electron microscopy revealed the selective exposure of (101) and (001) planes of Mn3O4 nanoparticles in the MWNT-Mn3O4 composite, while lowering in oxidizing capacity of MWNT-Mn3O4 nanocomposite confirmed by cyclic voltametry was due to incorporation of electron rich MWNT. Thus, selectivity tuning of the new material (MWNT-Mn3O4 nanocomposite) was found to be due to alteration in both geometric as well as electronic properties. A plausible reaction pathway also has been proposed involving the predominant role of nucleophilic lattice oxygen (O2-) species due to exposure of particular crystal planes giving highest selectivity to p-hydroxy benzyl alcohol.

}, issn = {1932-7447}, doi = {10.1021/jp203318n}, author = {Biswal, Mandakini and Dhas, Vivek V. and Mate, Vivek R. and Banerjee, Abhik and Pachfule, Pradip and Agrawal, Kanika L. and Ogale, Satishchandra B. and Rode, Chandrashekhar V.} } @article { ISI:000287092000033, title = {Self assembled CdLa2S4 hexagon flowers, nanoprisms and nanowires: novel photocatalysts for solar hydrogen production}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {8}, year = {2011}, month = {JAN}, pages = {2624-2631}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report here a new ternary chalcogenide material, cadmium lanthanum sulfide (CdLa2S4) produced using a facile hydrothermal method at 433 K. The effect of the solvent on the morphology of the CdLa2S4 was demonstrated for the first time. The prima facie observations revealed the formation of highly crystalline hexagonal structures in the form of flowers in aqueous medium. The flowers comprise hexagonal columns similar to 300 nm in diameter and 1-1.2 mu m in length. All the hexagonal structures have a sharp tip with a cavity of 10 nm and are almost equal in size. The nanoprisms have an average base size of 35 nm with 35 nm edges, and the nanowires have a diameter of 10-15 nm; both were obtained in methanol. Crystal and electronic structure calculations were performed using the Vienna ab initio simulation package (VASP) based on density functional theory (DFT). Considering the band gap of pristine CdLa2S4 in the visible region (2.3 eV), we have demonstrated CdLa2S4 as a photocatalyst for the production of H-2 under solar light. Nanostructured CdLa2S4 prisms gave the maximum hydrogen production, i.e. 2552 mu mol h(-1). Being a stable ternary nanostructured metal sulfide (with nanohexagons, nanoprisms, nanowires), CdLa2S4 may have other potential prospective applications in solar cells and optoelectronic devices.

}, issn = {0959-9428}, doi = {10.1039/c0jm02890h}, author = {Kale, Bharat B. and Baeg, Jin-Ook and Kong, Ki-jeong and Moon, Sang-Jin and Nikam, Latesh K. and Patil, Kashinath R.} } @article { ISI:000288291400015, title = {Self-standing three-dimensional networks of nanoparticles with controllable morphology by dynamic templating of surfactant hexagonal domains}, journal = {Chemistry of Materials}, volume = {23}, number = {6}, year = {2011}, month = {APR}, pages = {1448-1455}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Assembly of nanoparticles into free-standing three-dimensional networks has implications for a wide range of applications. We show that dynamic templating of surfactant hexagonal domains is a facile technique to organize nanoparticles into a network of particulate strands. Dispersed particles (\> 10 nm), independent of particle chemistry, assemble into networks, when the surfactant matrix cools into the hexagonal phase. We demonstrate assembly of inorganic, polymeric, and protein nanoparticles into networks. Where particle assembly is reversible, particles are coated with polymers that are subsequently cross-linked to stabilize the networks after surfactant removal. This technique involves near ambient temperatures and a benign water wash for template removal. The network mesh size can be varied from submicrometers to tens of micrometers by controlling the cooling rate. Particle networks can be flow-oriented prior to cross-linking, and interpenetrating networks can also be formed.

}, keywords = {hexagonal, macroporous, nanoparticle, self assembly, surfactant}, issn = {0897-4756}, doi = {10.1021/cm102945x}, author = {Sharma, Kamendra P. and Ganai, Anal Kumar and Sen Gupta, Sayam and Kumaraswamy, Guruswamy} } @article { ISI:000295422000005, title = {Sesquiterpene lactone, a potent drug molecule from artemisia pallens wall with anti-inflammatory activity}, journal = {Arzneimittel-Forschung-Drug Research}, volume = {61}, number = {9}, year = {2011}, month = {DEC}, pages = {510-514}, publisher = {ECV-EDITIO CANTOR VERLAG MEDIZIN NATURWISSENSCHAFTEN}, address = {BANDELSTOCKWEG 20, POSTFACH 1255, D-88322 AULENDORF, GERMANY}, abstract = {

The present study was carried out to investigate the anti-inflammatory activities of bioactive secondary metabolites of Artemisia pallens Wall, an aromatic herb from family Asteraceae. The results provide evidence for the topical anti-inflammatory properties of Artemisia pallens Wall. The compounds were isolated from the acetone extract of the plant material. The isolates were tested on Swiss albino mice using 12-O-tetradecanoyl phorbol-13-acetate (TPA) induced ear edema. One of the molecules from the extract indicated potent anti-inflammatory activity equivalent to indometacin (CAS 53-86-1). Elucidation of the molecular structures by single crystal x-ray diffraction studies revealed the conformational differences that the six membered rings in both the molecules are at an angle of 28.79 degrees. Presence of hydroxy function for compound 2 may be responsible for higher potency.

}, keywords = {Anti-inflammatory activity, Artemisia pollens, Asteraceae, Mice, Single crystal x-ray structure}, issn = {0004-4172}, author = {Ruikar, Anjali D. and Misar, Ashwini V. and Jadhav, Ravindra B. and Rojatkar, Supada R. and Mujumdar, Arvind M. and Puranik, Vedavati G. and Deshpande, Nirmala R.} } @article { ISI:000293213600025, title = {Shape preserving chemical transformation of ZnO mesostructures into anatase TiO2 mesostructures for optoelectronic applications}, journal = {Energy \& Environmental Science}, volume = {4}, number = {8}, year = {2011}, month = {AUG}, pages = {2835-2839}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this work we report on the synthesis of various ZnO mesostructures (rods, spheres, flakes and flower-like morphologies) by hydrothermal and co-precipitation methods and their remarkable and complete transformation into anatase TiO2 mesostructures with nominally similar shapes using controlled low temperature TiCl4 treatment. Various techniques are used to demonstrate the phase purity and morphology details. Based on the careful examination of the transformation of ZnO rods into TiO2 tubes we suggest a mechanism which embodies initial formation of a thin TiO2 shell on the ZnO surface by ion exchange (Ti4+-Zn2+) followed by Zn diffusion through the shell and its oxidation on the surface. We used these converted TiO2 mesostructures for light harvesting in Dye Sensitized Solar Cells (DSSCs) to enhance the conversion efficiency. It is shown that DSSCs made using a doctor bladed film of TiO2 nanoparticles with an overlayer of TiCl4 treated ZnO flowers yield a solar cell efficiency of 6.9\% which is considerably higher than that with only TiO2 nanoparticle film (5.4\%) of comparable thickness.

}, issn = {1754-5692}, doi = {10.1039/c1ee01515j}, author = {Muduli, Subas and Game, Onkar S. and Dhas, Vivek V. and Yengantiwar, Ashish and Ogale, Satishchandra B.} } @article { ISI:000296871800013, title = {Sharp cut algorithm for optimization}, journal = {Computers \& Chemical Engineering}, volume = {35}, number = {12}, year = {2011}, month = {DEC}, pages = {2716-2728}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In this paper, we introduce a new cutting plane algorithm which is computationally less expensive and more efficient than Kelley{\textquoteright}s algorithm. This new cutting plane algorithm uses an intersection cut of three types of cutting planes. We find from numerical results that the global search method formed using successive linear programming and a new intersection set is at least twice as fast as Kelley{\textquoteright}s cutting planes. The necessary mathematical analysis and convergence theorem are provided. The key findings are illustrated via optimization of a cascade of three CSTRs. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Convergence theorem, Cutting plane, Sharp cut, Successive linear programming}, issn = {0098-1354}, doi = {10.1016/j.compchemeng.2010.11.010}, author = {Inamdar, Satish R. and Karimi, I. A. and Parulekar, S. J. and Kulkarni, B. D.} } @article {42770, title = {Silico substrate specificity in bmgt1 and bmgt2 genes of bacopa monniera glycosyltransferases online journal of bioinformatics}, journal = {Bioinformatics}, volume = {12}, year = {2011}, month = {JAN}, pages = {413 - 430}, author = {Sharma, Ranu and Ruby and Khan, Bashir Mohammad and Suresh, C.G.} } @article { ISI:000292776300038, title = {Silver nanoparticle studded porous polyethylene scaffolds: bacteria struggle to grow on them while mammalian cells thrive}, journal = {Nanoscale}, volume = {3}, number = {7}, year = {2011}, month = {JUN}, pages = {2957-2963}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Silver nanoparticle studded scaffolds were prepared by exploiting the Ag+ ion reducing activity of sophorolipids-a class of {\textquoteleft}glycolipids{\textquoteright} that cap the ensuing nanoparticles as well. To achieve this, the porous polyethylene scaffolds are subjected to N-2+H-2 plasma treatment, in the first step. Subsequently the sophorolipids are covalently attached to the amine groups on the polymer surface through simple amide chemistry to yield sophorolipid grafted polymer scaffolds. These are then exposed to Ag+ ions under appropriate conditions leading to the formation of silver nanoparticles immobilized on the polymer scaffolds. It has been found that while bacteria do not survive on these silver studded scaffolds, CHO-K1 cells thrive on them making them good candidates for tissue engineering and bio-implant applications.

}, issn = {2040-3364}, doi = {10.1039/c1nr10154d}, author = {D{\textquoteright}Britto, Virginia and Kapse, Harsha and Babrekar, Harshada A. and Prabhune, Asmita and Bhoraskar, S. V. and Premnath, V. and Bhagavatula L. V. Prasad} } @article { ISI:000287627200012, title = {Single nucleotide polymorphism in transcobalamin II (15V) induces structural changes in the protein as revealed by molecular modeling studies}, journal = {Biochemistry}, volume = {50}, number = {8}, year = {2011}, month = {MAR}, pages = {1396-1402}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Cobalamin is an essential micronutrient in mammals. Deficiencies of this micronutrient have been implicated as risk factors for various complex diseases. Cobalamin is transported to the cells by the transport protein transcobalamin II (TCII), and hence genetic variations (like single nucleotide polymorphisms) in TCII could be perceived to affect the binding of cobalamin to TCII, thereby modulating the intracellular concentrations of cobalamin. To understand whether three nonsynonymous mutations in TCII (I5V, P241R, and R381Q) alter the structure of the protein which could potentially affect cobalamin binding, we performed molecular dynamics simulation in silico. Superimposition of active sites of the four simulated models (wild type and three variants) with the human TCII crystal structure revealed that the distance between the N epsilon nitrogen atom of His-173 and the cobalt ion of cobalamin deviated considerably in the I5V model as compared to wild type and other variants. His-173 directly coordinates with the cobalt ion of cobalamin. Further, from our dynamic cross-correlation and principal component analysis it appears that in the I5V model the beta-domain moves apart from the alpha-domain creating a wide gap between the two domains. This might facilitate the initial binding of cobalamin in the I5V model as cobalamin enters the binding site through the gap between the two domains. These observations were not found in the other variants. We thus speculate that binding of cobalamin will be more facile in the I5V variant.

}, issn = {0006-2960}, doi = {10.1021/bi101095g}, author = {Silla, Yumnam and Chandamouli, Balasubramanian and Maiti, Souvik and Sengupta, Shantanu} } @article { ISI:000293192100022, title = {Size- and shape-sensitive reactivity behavior of Al-n(n=2-5, 13, 30, and 100) clusters toward the N-2 molecule: a first-principles investigation}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {30}, year = {2011}, month = {AUG}, pages = {14615-14623}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Reactivity of aluminum clusters has been found to exhibit size-sensitive variations. N-2 reduction is a hard process, and its dissociation on the Al surface is one of the few chemical methods available under nonhazardous conditions. In this context, we attempt to understand the adsorption behavior of N-2 molecules as a function of varying size and shape of Al clusters using a Density Functional Theory (DFT) based method. During the complex formation, various N-2 adsorption modes are examined. The results clearly demonstrate that, while the interaction energy does not vary with respect to the cluster size, shape of the cluster is highly contributive toward the chemisorption (a prerequisite for the reactivity) of the N-2 molecule. The underlying electronic and structural factors influencing the adsorption of N-2 molecules on the Al clusters are analyzed with the help of the Electron Localization Function (ELF) and Frontier Molecular Orbitals. As an illustration, the activation barrier calculations on various Al-13 conformations are calculated, and results confirm the experimental propositions that high-energy structures (depending upon their geometrical and electronic orientation) are more favorable for N-2 reduction.

}, issn = {1932-7447}, doi = {10.1021/jp203452a}, author = {Kulkarni, Bhakti S. and Krishnamurty, Sailaja and Pal, Sourav} } @article { ISI:000295223800016, title = {Solid suspension in stirred tanks: UVP measurements and CFD simulations}, journal = {Canadian Journal of Chemical Engineering}, volume = {89}, number = {5, SI}, year = {2011}, month = {OCT}, pages = {1112-1121}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Suspension of solids in stirred reactor is widely used for catalytic reactions, dissolution, etc. Quality of solid suspension is an important parameter required for the reliable design, optimum performance, and scale up of the system. Quality of suspension depends on local characteristics of solid velocity and hold up profiles. The present work was focused on investigating quality of solid suspension using ultrasound velocity profiler (UVP) measurements and CFD simulations. The slip velocity measurements carried out with UVP were used to evaluate different drag correlations used in CFD simulations. Results discussed in this work would be useful for extending the applications of CFD models for simulating large stirred slurry reactors.

}, keywords = {CFD, drag coefficient, solid suspension, solid-liquid velocities, UVP}, issn = {0008-4034}, doi = {10.1002/cjce.20548}, author = {Sardeshpande, Madhavi V. and Juvekar, Vinay A. and Ranade, Vivek V.} } @article {42576, title = {Solution-processed heterojunction solar cells based on p-type PbS quantum dots and n-type Bi2S3 nanocrystals}, journal = {Advanced Materials}, volume = {23}, year = {2011}, month = {AUG}, pages = {3712{\textendash}3717}, abstract = {

Bi2S3 nanocrystals are employed as an n-type, non-toxic, inorganic, solution-processed semiconductor in thin film solar cells. The first solution processed-inorganic p-n junction based on p-type PbS QDs and n-type Bi2S3 nanocrystals with both phases contributing to photocarrier generation is demonstrated. The reported devices show a power conversion efficiency of 1.6\% for 860 nm PbS QDs and over 1\% for 1300 nm PbS QDs.

}, doi = {10.1002/adma.201101399}, author = {Rath, Arup Kumar and Bernechea, Maria and Martinez, Luis and Konstantatos, Gerasimos} } @article {42542, title = {Solvent-dependent aggregation behavior of a new Ru(ii)-polypyridyl based metallosurfactant}, journal = {Chemical Communications}, volume = {47}, year = {2011}, month = {SEP}, pages = {11074-11076}, abstract = {

Variation of the solvent polarity leads to the formation of vesicles and reverse vesicles of a newly synthesized amphiphilic Ru(II)-polypyridyl complex.

}, doi = {10.1039/C1CC13957F}, author = {Mahato, Prasenjit and Saha, Sukdeb and Choudhury, Sipra and Das, Amitava} } @article { ISI:000293435400011, title = {Solvent-free mukaiyama-aldol condensation catalyzed by Ce-Al-MCM-41 mesoporous materials}, journal = {Microporous and Mesoporous Materials}, volume = {144}, number = {1-3}, year = {2011}, note = {16th IZC/7th IMMS Conference, Sorrento, ITALY, JUL 04-09, 2010}, month = {OCT}, pages = {82-90}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

MCM-41 samples containing Ce4+ and Al3+ in the network, designated as Ce-x-Al-MCM-41 (x = 0.0-0.04), were synthesized and characterized systematically. These samples exhibited higher catalytic activity for Mukaiyama-aldol condensations to produce beta-hydroxy carbonyl compounds under the solvent free conditions, compared to the samples containing either of the two cations. The product yield was found to depend on the electron donating/withdrawing characteristics of reactant molecules being responsible for the observed trend. Series of solvents were also investigated but considerably high yield of aldol products (similar to 95\%) could be achieved without using any solvents. In all the cases, the selectivity was found to be 100\%, typical of such Mukaiyama-aldol condensations. The higher catalytic activity of Ce-x-Al-MCM-41 is explained on the basis of certain new acid sites generated due to co-incorporation of Ce and Al cations. Published by Elsevier Inc.

}, keywords = {Acid catalyst, Ce-Al-MCM-41, Silyl enol ether and aldehyde, Silyl ketene acetal}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2011.03.027}, author = {Kalita, Pranjal and Gupta, Narendra M. and Kumar, Rajiv} } @article { ISI:000295757900019, title = {Solvent-free selective oxidation of primary alcohols-to-aldehydes and aldehydes-to-carboxylic acids by molecular oxygen over MgO-supported nano-gold catalyst}, journal = {Catalysis Communications}, volume = {13}, number = {1}, year = {2011}, month = {OCT}, pages = {82-86}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Magnesium oxide supported nano-gold catalyst (prepared by the homogeneous deposition precipitation technique) showed high activity/selectivity and excellent reusability in the oxidation of different primary alcohols and aldehydes to corresponding aldehydes and carboxylic acids, respectively, by molecular oxygen (under atmospheric pressure) in the absence of any solvent. Influence of the catalyst calcination temperature (400-900 degrees C), reaction temperature (50-120 degrees C) and use of different solvents (viz. toluene. p-xylene, DMF or DMSO) on the oxidation reaction has also been studied. (C) 2011 Published by Elsevier B.V.

}, keywords = {Alcohols, aldehydes, Au/MgO, Molecular oxygen, Solvent-free oxidation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2011.07.001}, author = {Choudhary, Vasant R. and Dumbre, Deepa K.} } @article { ISI:000289050100049, title = {Solvothermal synthesis, structure, and properties of metal organic framework isomers derived from a partially fluorinated link}, journal = {Crystal Growth \& Design}, volume = {11}, number = {4}, year = {2011}, month = {APR}, pages = {1215-1222}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Solvothermal reactions of Cu(NO3)(2) center dot 3H(2)O with 4,4{\textquoteright}-(hexafluoroisopropylidene) bis(benzoic acid) (C17H10F6O4, H(2)hfbba) and terminal monodentate ligand 3-methyl pyridine (3-picoline/3-mepy) in the presence of N, N-dimethyl formamide (DMF) and N,N-diethyl formamide (DEF) solvents gave rise to two structurally different two-dimensional (2D) fluorinated metal organic frameworks (F-MOFs). The effect of the choice of solvent has been clearly reflected in the structures obtained. The F-MOFs reported in this paper are formulated as [Cu-2(hfbba)(2)(3-mepy)(2)] center dot (DMF)(2)(3-mepy) (F-MOF-4), [Cu-2(hfbba)(2)(3-mepy)(2)] (Cu-F-MOF-4B), and [Zn-2(hfbba)(2)(3-mepy)(2)] center dot (3-mepy) (Zn-F-MOF-4B) which displays interesting 2D structures with and without interdigitation depending on the solvent used. The structures of these F-MOFs have been determined by X-ray crystallography and further identified by IR spectroscopy, powder X-ray diffraction (PXRD), and thermogravimetric analysis (TGA). The effect of interdigitation has been reflected in the gas adsorption and magnetic properties of these F-MOFs. These F-MOFs also show comparable H-2 and CO2 uptake depending on their structural variation. Temperature-dependent magnetic susceptibility measurements over a wide range of temperatures exhibit dominantly short-range antiferromagnetic behavior, with weak ferromagnetic behavior showing up at very low temperatures, which is evident from opening of the hysteresis loop with a finite value of coercivity in both F-MOF-4 and Cu-F-MOF-4B. We observed a smaller value of mu(eff) per Cu atom and coercivity in Cu-F-MOF-4B than the F-MOF-4 due to relatively larger distances between the neighboring dicopper paddlewheel secondary building unit.

}, issn = {1528-7483}, doi = {10.1021/cg101414x}, author = {Pachfule, Pradip and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000295237400015, title = {Stereoselective synthesis and antimicrobial activity of steroidal C-20 tertiary alcohols with thiazole/pyridine side chain}, journal = {European Journal of Medicinal Chemistry}, volume = {46}, number = {9}, year = {2011}, month = {SEP}, pages = {3681-3689}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Stereoselective synthesis of novel steroidal C-20 tertiary alcohols with thiazole and pyridine side chain using Grignard reaction of steroidal ketones and thiazole/pyridine magnesium bromide have been realized. These molecules were evaluated in vitro for their antifungal and antibacterial activities. Most of the compounds exhibited significant antifungal and antibacterial activity against all the tested strains. (C) 2011 Elsevier Masson SAS. All rights reserved.

}, keywords = {antibacterial activity, Antifungal activity, Grignard reaction, Steroid side chain, Steroidal ketones}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2011.05.032}, author = {Shingate, Bapurao B. and Liazra, Braja G. and Salunke, Deepak B. and Pore, Vandana S. and Shirazi, Fazal and Deshpande, Mukund V.} } @article { ISI:000288074100009, title = {Stereoselective synthesis of (-)-galantinic acid}, journal = {Synthesis-Stuttgart}, number = {6}, year = {2011}, month = {MAR}, pages = {901-904}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

An efficient and highly concise synthesis of (-)-galantinic acid has been achieved using an asymmetric allylation reaction of Garner{\textquoteright}s aldehyde.

}, keywords = {Amino alcohol, Chiral pool, iterative asymmetric allylation, Oxidation, stereoselective synthesis}, issn = {0039-7881}, doi = {10.1055/s-0030-1258431}, author = {Dubey, Abhishek and Harbindu, Anand and Kumar, Pradeep} } @article { ISI:000295113200011, title = {Stereoselective synthesis of ophiocerins A and C}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {11}, year = {2011}, month = {JUN}, pages = {1212-1217}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of ophiocerins A and C has been achieved via a common intermediate. The stereogenic centers were generated by means of Jacobsen{\textquoteright}s hydrolytic kinetic resolution and Sharpless kinetic resolution. (C) 2011 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2011.06.015}, author = {Show, Krishanu and Gupta, Priti and Kumar, Pradeep} } @article { ISI:000291903100003, title = {Strain improvement and statistical media optimization for enhanced erythritol production with minimal by-products from candida magnoliae mutant R23}, journal = {Biochemical Engineering Journal}, volume = {55}, number = {2}, year = {2011}, month = {JUL}, pages = {92-100}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Mutants of Candida magnoliae NCIM 3470 were generated by ultra-violet and chemical mutagenesis to enhance erythritol production. The mutants were screened for higher reductase activity on agar plates containing high concentration of glucose and 2,3,5-triphenyl tetrazolium chloride (TTC). One of the mutants named as R23 gave maximum erythritol production, 60.3 g L(-1), compared to 14 g L(-1) of the parent strain. Glucose and yeast extract were identified as critical medium components which decide the ratio of polyols produced, mainly erythritol, mannitol and glycerol. In order to enhance the production of erythritol and to minimize the production of mannitol and glycerol, a four component-five level-three response central-composite-rotatable-design (CCRD) of response surface methodology (RSM) model was used. The optimum medium composition for erythritol production was found to contain (g L(-1)) glucose 238, yeast extract 9.2, KH(2)PO(4), 5.16 and MgSO(4) 0.23. Moreover, erythritol production was studied in a 10 L fermentor in batch and fed-batch mode using RSM optimized medium. In fed-batch fermentation, 87.8 g L(-1) erythritol was produced with 31.1\% yield, without formation of any other polyols. Thus present study involving strain improvement followed by media and process optimization resulted in 6.2-fold increase in erythritol production and 3.4-fold increase in the yield. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Candida magnoliae, Erythritol, Fermentation, Metabolite over-production, Modelling, Optimization}, issn = {1369-703X}, doi = {10.1016/j.bej.2011.03.009}, author = {Savergave, Laxman S. and Gadre, Ramchandra V. and Vaidya, Bhalchandra K. and Narayanan, Karthik} } @article { ISI:000292161300005, title = {Streptomyces nucleases}, journal = {Critical Reviews in Microbiology}, volume = {37}, number = {3}, year = {2011}, month = {AUG}, pages = {227-236}, publisher = {INFORMA HEALTHCARE}, address = {52 VANDERBILT AVE, NEW YORK, NY 10017 USA}, abstract = {

Streptomyces nucleases are widely distributed and multifunctional enzymes acting on both DNA and RNA. They occur extra as well as intracellularly and can be classified under sugar specific and sugar non-specific nucleases. Nucleases play different roles like analytical, biological, and nutritional. They are also used in programmed cell death. Although more than 20 nucleases are reported to date, very little information is available regarding their structure-function relationship, active site based sequence homology, and the probable mechanism of action. This review describes the history, occurrence, localization, production, purification, properties, and applications of Streptomyces nucleases.

}, keywords = {Applications, Endonuclease, extracellular, production, Purification, Substrate specificity}, issn = {1040-841X}, doi = {10.3109/1040841X.2011.562173}, author = {Joshi, Amruta Pramod and Deshmukh, Sumedha Sharad} } @article { ISI:000296306600025, title = {Strong electric field modulation of transport in PVDF/MWCNT nanocomposite near the percolation threshold}, journal = {Solid State Communications}, volume = {151}, number = {21}, year = {2011}, month = {NOV}, pages = {1612-1615}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A nanocomposite comprising of multiwalled carbon nanotubes (MWCNT) embedded in ferroelectric Poly(vinylidene fluoride) PVDF polymer matrix is examined for electric field induced transport modulation. The pulsed laser deposition (PLD) grown thin films of the nanocomposite with different MWCNT content were characterized. When used as a channel layer in a field effect transistor configuration, a strong electric field modulation of the transport was realized just below the percolation threshold. We believe that this nanocomposite non-percolating channel concept can provide several opportunities for FET devices for organic electronics. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Field effect device, pulsed laser deposition, PVDF, Scanning tunneling microscopy}, issn = {0038-1098}, doi = {10.1016/j.ssc.2011.07.018}, author = {Chanmal, Chetan and Deo, Meenal S. and Rana, Abhimanyu and Jog, Jyoti Prakash and Ogale, Satishchandra B.} } @article { ISI:000296659000032, title = {Strong photo-response in a flip-chip nanowire p-Cu2O/n-ZnO junction}, journal = {Nanoscale}, volume = {3}, number = {11}, year = {2011}, month = {OCT}, pages = {4706-4712}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Cu2O nanoneedles are synthesized on a copper substrate by a simple anodization and reducing ambient annealing protocol. ZnO nanorods are grown on ITO coated glass by a low temperature chemical route. The electronic and photo-response properties of the p-Cu2O/n-ZnO flip-chip heterojunction are then studied and analyzed. We show that the I-V characteristic is rectifying and the junction exhibits a good photoresponse (similar to 120\% under 1 V reverse bias) under AM 1.5 (1 Sun) illumination. This nano-heterojunction photo-response is far stronger as compared to that of a pulsed laser deposited thin film p-Cu2O/n-ZnO heterojunction, which can be attributed to higher junction area in the former case.

}, issn = {2040-3364}, doi = {10.1039/c1nr10665a}, author = {Deo, Meenal S. and Mujawar, Sarfraj and Game, Onkar S. and Yengantiwar, Ashish and Banpurkar, Arun G. and Kulkarni, Sneha and Jog, Jyoti Prakash and Ogale, Satishchandra B.} } @article { ISI:000296264700024, title = {Structural and gas adsorption study of a two-dimensional copper-tetrazole based metal-organic framework}, journal = {Current Science}, volume = {101}, number = {7}, year = {2011}, month = {OCT}, pages = {894-899}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A new two-dimensional (2D) metal organic framework, Cu-1(4-TBA)(1)(DMBP)(1).DMF (Cu-TBA-3), has been synthesized under solvothermal condition from transition metal cation Cu(II), predesigned ligand 4-(1H-tetrazole-5-yl)benzoic acid (4-TBA) and coligand 4,4{\textquoteright}-dimethy1-2,2{\textquoteright}-bipyridine (DMBP). The structure has been determined by single crystal X-ray crystallography which shows layered 2D structure with square shaped one-dimensional channels. Cu-TBA-3 shows 0.69 wt\% H-2 (at 77 K, 1 atm) and 1.65 mmol/g CO2 (at 298 K, 1 atm) uptake.

}, keywords = {CO2 capture, Hydrogen storage, metal-organic frameworks, microporous materials}, issn = {0011-3891}, author = {Pachfule, Pradip and Banerjee, Rahul} } @article { ISI:000285735100021, title = {Structural and selective gas adsorption studies of polyoxometalate and tris(ethylenediamine) cobalt(III) based ionic crystals}, journal = {Crystal Growth \& Design}, volume = {11}, number = {1}, year = {2011}, month = {JAN}, pages = {139-146}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Seven new ionic solids built on polyoxometalate anions and [Co(en)(3)](3+) cations, namely, [Co(en)(3)Mo(8)O(26)(H(3)O)-(Cl)](DMF)(4)(H(2)O) (Co-Mo(8)-DMF), [alpha-PW(12)O(40)][Co(en)(3)]center dot 6DMF (Co-W(12)P-DMF), [alpha-PW(12)O(40)][Co(en)(3)]center dot 6DEF (Co-W(12)P-DEF), [alpha-PMo(12)O(40)][Co(en)(3)]center dot 5.5DMF (Co-Mo(12)P-DMF), [alpha-PMo(12)O(40)][Co(en)(3)]center dot 6DEF (Co-Mo(12)P-DEF), [alpha-SiW(12)O(40)]-[Co(en)(3)](3/2)[Cl](1/2)center dot 6DMF center dot 3H(2)O (Co-W(12)Si-DMF), and [alpha-SiW(12)O(40)][Co(en)(3)]center dot 6DEF (Co-W(12)Si-DEF), have been synthesized from nonaqueous (DMF/DEF) media and characterized by single-crystal X-ray diffraction. We attempt to understand if [Co(en)(3)](3+) cations used in these reaction systems play a crucial role in controlling the assembly of these crystals. These ionic solids, after removal of the DMF or DEF molecules, are found to exhibit size selective H(2) adsorption properties over N(2). The amount of hydrogen adsorption was influenced by POM anion types and their orientations. CoMo(12)P-DEF has the highest (0.9 wt \%) H(2) uptake, and CoW(12)P-DEF has the lowest (0.4 wt \%) uptake among the series when the adsorbate pressure approached 1 atm.

}, issn = {1528-7483}, doi = {10.1021/cg101201b}, author = {Dey, Chandan and Das, Raja and Pachfule, Pradip and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000291294100029, title = {Structural isomerism and effect of fluorination on gas adsorption in copper-tetrazolate based metal organic frameworks}, journal = {Chemistry of Materials}, volume = {23}, number = {11}, year = {2011}, month = {JUN}, pages = {2908-2916}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Synthesis, structure, and gas adsorption properties of three Metal Organic Frameworks (MOFs) synthesized from predesigned ligands 4-(1H-tetrazole-5-yl)benzoic acid (4-TBA) and 2-fluoro-4-(1H-tetrazole-5-yl)benzoic acid (2F-4-TBA) along with Cu(II) as an metal precursor has been reported. Among these MOFs, Cu-9(4-TBA)(10)(C2H5OH)(2) (Cu-TBA-1) and Cu-2(4-TBA)(2)(DMF)(C2H5OH) (Cu-TBA-2) are structural isomers. Whereas, Cu-2(4-TBA)(2)(DMF)(C2H5OH) (Cu-TBA-2) and Cu-2(2-F-4-TBA)(2)(DMF)(2) (Cu-TBA-2F) have similar crystal structure. N-2 adsorption isotherms of the activated sample of Cu-TBA-1 and -2 exhibit types-I sorption behavior with a Langmuir and Brunauer-Emmett-Teller (BET) surface area of 686, 402 m(2)/g and 616, 356 m(2)/g, respectively. It is noteworthy that Cu-TBA-1 and -2 adsorbs 1.16 and, 1.54 wt \% H-2, while Cu-TBA-2F adsorbs 0.67 wt \% at 77 K and 1 atm. On the other hand, Cu-TBA-1 and -2 adsorb 3.08 and 2.54 mmol/g, while Cu-TBA-2F adsorbs 1.27 mmol/g of CO2 at 298 K and 1 bar pressure. H-2 adsorption sites in Cu-TBA-2 and -2F have been analyzed by molecular simulation.

}, keywords = {CO2 adsorption, fluorination, Hydrogen storage, Metal-organic framework, structural isomerism}, issn = {0897-4756}, doi = {10.1021/cm2004352}, author = {Pachfule, Pradip and Chen, Yifei and Sahoo, Subash Chandra and Jiang, Jianwen and Banerjee, Rahul} } @article { ISI:000289710700005, title = {Structural, magnetic, and gas adsorption study of a series of partially fluorinated metal-organic frameworks (HF-MOFs)}, journal = {Inorganic Chemistry}, volume = {50}, number = {9}, year = {2011}, month = {MAY}, pages = {3855-3865}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Four new partially fluorinated metal organic frameworks (HF-MOFs) have been synthesized under different solvothermal conditions (H2O or dimethylformamide (DMF)) from transition metal cations [Co2+ and Mn2+], 3-methyl pyridine (3-mepy) and 4,4{\textquoteright}-(hexafluoroisopropylidene) bis(benzoic acid) (C17H10F6O4, H(2)hfbba), to determine the influence of reaction conditions on the formation of MOFs. This family of materials displays a striking degree of structural similarity depending on the solvent of synthesis. HF-MOFs synthesized from H2O [Co-HFMOF-W, Co(liffiba)(3-mepy)(H2O) and Mn-HFMOF-W, Mn(hfbba)(3-mepy)(H2O)] contain three-dimensional connectivity whereas HF-MOFs synthesized from DmF Co-HFMOF-D, [Co-2(hfbba)(2)(3-mepy)(2)]center dot(DMF)(3) and Mn-HFMOE-D, [Mn-2(hfbba)(2)(3-mepy)]center dot(H2O) are two-dimensional in nature. Co-HFMOF-W and Mn-HFMOF-W are iso-structural polymeric materials. Thermal gravimetric analysis performed on as-synthesized HP-MOFs revealed that these compounds have high thermal stability (similar to 350 degrees C). The continuous decrease of the chi T product with decreasing T for Co-HFMOF-D and Co-HFMOF-W respectively indicates the presence of antiferromagnetic exchange interaction between two Co2+ (S = 3/2) metal centers within a duster.

}, issn = {0020-1669}, doi = {10.1021/ic1017246}, author = {Pachfule, Pradip and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000293826800006, title = {Structural, magnetic and mossbauer spectral studies of nanocrystalline Ni0.5Zn0.5Fe2O4 ferrite powders}, journal = {Journal of Alloys and Compounds}, volume = {509}, number = {37}, year = {2011}, month = {SEP}, pages = {8999-9004}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Nanocrystalline Ni0.5Zn0.5Fe2O4 powders, synthesized by a combustion method are investigated by X-ray diffraction, vibrating sample magnetometry and Mossbauer spectroscopic techniques. We adopt a strategy to systematically control the particle sizes between 4 and 45 nm simply by changing the elemental stoichiometric coefficient, Phi(e), of the combustion mixture. Curie temperature of the superparamagnetic particles of size 4 nm is higher than that of the bulk particles. Interestingly, bigger particles (45 nm) show a comparable room temperature saturation magnetization and exceptionally very high Curie temperature of 833 K, when compared to that of the bulk Ni0.5Zn0.5Fe2O4 material (563 K). (C) 2011 Elsevier B. V. All rights reserved.

}, keywords = {Chemical synthesis, Magnetisation, Mossbauer spectroscopy, Nanostructured materials}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2011.06.047}, author = {Verma, Seema and Joy, Pattayil Alias and Kurian, Sajith} } @article { ISI:000287175600029, title = {Structure and gas sorption behavior of a new three dimensional porous magnesium formate}, journal = {Inorganic Chemistry}, volume = {50}, number = {4}, year = {2011}, month = {FEB}, pages = {1392-1401}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new three-dimensional magnesium formate polymorph, namely, gamma-[Mg-3(O2CH)(6)] has been synthesized via in situ formate anion generation method. gamma-Mg-formate crystallizes in space group Pbcn, and structural determination by X-ray single crystal diffraction reveals a three-dimensional network of Mg2+ linked by formate anions. All formate anions possess similar binding mode to the metal center with one oxygen of a particular formate anion binds to one metal center (mu(1) oxygen) and other oxygen binds to two metal centers (mu(2) oxygen). N-2 adsorption studies indicate that the framework displays permanent porosity. The specific surface area of gamma-Mg-formate (BET, 120 m(2) gm(-1)) is lower than the alpha- polymorph (BET, 150 m(2) gm(-1)). However, the initial hydrogen uptake of gamma-Mg-formate reached almost 1.0 wt \% when the adsorbate pressure approached 760 Torr at 77 K. This is higher than the hydrogen uptake of alpha-Mg-formate (0.6 wt \%). gamma-Mg-formate, shows a moderate affinity and capacity for CO2 (3.4 angstrom kinetic diameter) at 298 K. The CO2 uptake at 760 Torr is 2.01 mmol gm(-1)(47.0 cc gm(-1)). Although this CO2 uptake is somewhat modest, it compares well with the CO2 uptake of several Mg-MOFs and ZIFs reported in the literature.

}, issn = {0020-1669}, doi = {10.1021/ic102057p}, author = {Mallick, Arijit and Saha, Subhadeep and Pachfule, Pradip and Roy, Sudip and Banerjee, Rahul} } @article { ISI:000287056000001, title = {Structure determination and dynamics of protein-RNA complexes by NMR spectroscopy}, journal = {Progress in Nuclear Magnetic Resonance Spectroscopy}, volume = {58}, number = {1-2}, year = {2011}, month = {FEB}, pages = {1-61}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, keywords = {Dynamics, NMR spectroscopy, Protein-RNA complex, Structure determination}, issn = {0079-6565}, doi = {10.1016/j.pnmrs.2010.10.001}, author = {Dominguez, Cyril and Schubert, Mario and Duss, Olivier and Ravindranathan, Sapna and Allain, Frederic H. T.} } @article { ISI:000288835000010, title = {Structure-property of thermoplastic polyurethane-clay nanocomposite based on covalent and dual-modified laponite}, journal = {Journal of Computational and Theoretical Nanoscience}, volume = {4}, number = {1}, year = {2011}, month = {JAN}, pages = {65-73}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Modification of surface of clay platelets by ionic and covalent modification techniques renders it to be easily dispersed in polymers like, Thermoplastic Polyurethane (TPU). Only ionic or covalent modification techniques in isolation are not sufficient to achieve uniform nanoscale dispersion of Laponite (synthetic hectorite nanoclay) in TPU. Hence, the dual modification of Laponite (both ionic and covalent) is performed and the effects of the modification on the morphology, thermal and rheological behaviors of the TPU-modified clay nanocomposites have been studied. The degree of exfoliation of clay platelet in TPU matrix is found to be higher for dual functionalized nanoclays compared to their singly modified counterparts. Interestingly, dual modified Laponite clays prepared by using two different techniques (ionic followed by covalent and covalent followed by ionic) exhibit different morphology and properties. The dual modified clays significantly alter the equilibrium morphology of TPU. The storage modulus of the dual modified Laponite-TPU nanocomposite in the glassy region (at -60 degrees C) land in the rubbery region (+98 degrees C) is improved by 172.8\% and 85\%, respectively as compared to the neat TPU. Similarly, the onset of degradation is found to be enhanced by 28.7 degrees C as compared to the neat TPU.

}, keywords = {Dual modification, Laponite Nanocomposite, Morphology, Structure-Property, Thermoplastic polyurethane}, issn = {1936-6612}, doi = {10.1166/asl.2011.1174}, author = {Mishra, Ananta K. and Rajamohanan, P. R. and Nando, Golok B. and Chattopadhyay, Santanu} } @article {42529, title = {Studies on [3]pseudorotaxane formation from a bis-azacrown derivative as host and imidazolium ion-derivatives as guest}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, year = {2011}, month = {MAR}, pages = {4811-4817}, abstract = {

A new host molecule, having two azacrown derivatives bridged by luminescent naphthalene diimide functionality, is found to form a [3]pseudorotaxane derivative with imidazolim ion-based guest molecules in non-polar solvents through hydrogen-bonded adduct formation. Depending upon the length of the covalent linker that links the imidazolium ion and the luminescent naphthalene fragment in the guests, the [3]pseudorotaxane adducts adopt different conformation or orientation with varying π{\textendash}π/donor{\textendash}acceptor interaction. The mechanism for the naphthalene-based luminescence quenching by NDI fragment on adduct formation was found to be a combination of static, as well as dynamic with static quenching as the dominant one.

}, doi = {10.1039/C0OB01106A}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Das, Amitava} } @article { ISI:000298175400040, title = {Studies on the feasibility of recycled polystyrene doped with NLO active meta-Nitroaniline for optoelectronics applications}, journal = {Polymers for Advanced Technologies}, volume = {22}, number = {12}, year = {2011}, month = {DEC}, pages = {1865-1871}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A Guest-Host system based on meta-Nitroaniline (m-NA) and recycled polystyrene (RPS) susceptible to generate nonlinear optically (NLO) active property such as second harmonic generation (SHG) has been prepared. Pure, sublimed, optical grade, crystalline m-NA is used as a guest and RPS from the disposable packaging waste as available utilized as the host polymer. In this paper we report the effect of NLO active m-NA on the bulk and optical properties of RPS. The purified m-NA was incorporated from 1-10 wt\% in the RPS polymer matrix by conventional solution casting method. Thin, transparent, freestanding films obtained were characterized with optical microscope, scanning electron microscope (SEM), viscosity measurement, and UV-Visible (UV-Vis) spectroscopy for bulk properties evaluation and Nd:YAG laser studies for optoelectronics application such as SHG through frequency doubling. Copyright (C) 2010 John Wiley \& Sons, Ltd.

}, keywords = {frequency doubling, guest-host NLO systems, meta-Nitroaniline, nonlinear optical activity, Polystyrene, second harmonic generation}, issn = {1042-7147}, doi = {10.1002/pat.1685}, author = {Sureshkumar, M. S. and Goyal, R. K. and Negi, Y. S. and Pratheepkumar, A. and Reddy, K. Raghunatha and Singh, R. P. and Dadge, Jagdish W. and Aiyer, Rohini C.} } @article { ISI:000287338100007, title = {Surface effects on morin transition, exchange bias, and enchanced spin reorientation in chemically synthesized DyFeO3 nanoparticles}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {7}, year = {2011}, month = {FEB}, pages = {2954-2960}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A giant linear magnetoelectric effect was observed by Y. Tokura{\textquoteright}s group recently in multiferroic DyFeO3, which demands a detailed investigation of its magnetic properties. Additionally, there is little information on the changes of chemical and physical properties of these materials with the reduction in particle size in spite of the potential applications of these materials nanoscale devices. As the wet-chemical synthesis of these materials in nanosize and getting a control over crystallinity and stoichiometry is nontrivial and poses a serious challenge prohibiting the study of their size-dependent properties. Here, we report the synthesis of DyFeO3 nanoparticles using a surfactantless hydrothermal method with a detailed magnetic property measurement. The as-synthesized DyFeO3 nanoparticles showed excellent crystallinitywith average particle size in the range 50-60 nm. The structural analysis indicated that they are of a distorted orthorhombic pervoslcite crystal structure. Detailed dc magnetization measurements in the temperature range of 3-350 K could isolate the presence of Dy3+-Fe3+ and Dy3+-Dy3+ superexchange interactions, which showed up as spin reorientation transitions in various temperature regions due to the differing magnitude of their interactions resulting in continuous rotation of antiferromagnetic component of Fe3+ spins with cooling of the sample. Nanosized DyFeO3 showed spin-reorientation transitions near 315 and 70K due to the Dy3+-Fe3+ interaction accompanied with an opening up of the hysteresis loop followed by antiferromagnetic ordering around 4 K due to a possible Dy3+-Dy3+ interaction. We also observed significant effect of the particle size reduction on the magnetic properties. The main effects seen. by us were in terms of (1) pronounced spontaneous spin reorientation transitions, (2) the absence of Morin transition, and (3) presence of temperature-dependent exchange bias in the DyFeO3 nanoparticles. We present a detailed mechanism to explain these features based on the interplay of Dy3+ and Fe3+ spins as well surface disorder, anisotropy, canting, and so forth.

}, issn = {1932-7447}, doi = {10.1021/jp109313w}, author = {Jaiswal, Adhish and Das, Raja and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000294982800015, title = {Surfactant tunable hierarchical nanostructures of CdIn2S4 and their photohydrogen production under solar light}, journal = {International Journal of Hydrogen Energy}, volume = {36}, number = {18}, year = {2011}, month = {SEP}, pages = {11628-11639}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The hierarchical nanostructures of CdIn2S4 were selectively prepared through hydrothermal process in the presence of different surfactants. Structural study demonstrated existence of cubic spinel structure and micro structural study shown a pretty marigold flower like morphology without any surfactant. The effect of surfactants on the morphology and microstructure of CdIn2S4 has been studied by using Polyvinyl pyrrolidone (PVP) and Cetyltrimethyl ammonium bromide (CTAB) as a surfactants. The CdIn2S4 bipyramids with length of 0.7-1 mu m have been obtained using PVP. Interestingly, the nanopetals (thin and transparent) of CdIn2S4 are self assembled into hollow spheres in the presence of CTAB. Considering the importance of these unique nanostructures, the growth mechanism has also been proposed. The optical properties demonstrated the band gap in the range of 2.12-2.29 eV which is well within the visible region. In this contest, photocatalytic activity for hydrogen production using the above nanostructures under visible light was also demonstrated. The prima-fascia observations shows that the bipyramidal CdIn2S4 exhibit excellent photocatalytic activity for hydrogen production (3238 mu molh(-1)) than other nanostructures. Being a nanostructured semiconductor chalcogenide with a good stability will also have potential applications in solar cells and LED. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Bipyramids, CdIn2S4, Hydrogen generation, hydrothermal, Self-assembled}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2011.06.061}, author = {Bhirud, Ashwini P. and Chaudhari, Nilima and Nikam, Latesh and Sonawane, Ravindra and Patil, Kashinath and Baeg, Jin-Ook and Kale, Bharat} } @article { ISI:000290075500029, title = {Syntheses and biological evaluation of new triazole-spirochromone conjugates as inhibitors of mycobacterium tuberculosis}, journal = {Tetrahedron Letters}, volume = {52}, number = {18}, year = {2011}, month = {MAY}, pages = {2387-2389}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of novel 1,2,3-triazole fused spirochromone conjugates have been synthesized bearing both spirochromone moiety as well as a 1,2,3-triazole moiety. Some of the compounds have exhibited potential activity against Mycobacterium tuberculosis (virulent strain H37Rv). In particular 5e proved to be the most potent derivative exhibiting MIC = 0.78 mu g/mL. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Antitubercular activity, Click chemistry, Mycobacterium tuberculosis, Spirochromones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.02.099}, author = {Muthukrishnan, Murugan and Mujahid, Mohammad and Yogeeswari, P. and Sriram, D.} } @article {42451, title = {Synthesis and application of a chiral diborate}, journal = {Journal of Organic Chemistry}, volume = {76}, year = {2011}, month = {MAR}, pages = {2324{\textendash}2327}, abstract = {

A chiral diborate with different counterions is reported whose structure was unambiguously confirmed by X-ray analysis. This chiral dianion was used in the resolution of trans-1,2-diamines and also as a chiral shift reagent for NMR analysis of triphenylphosphonium salts.

}, doi = {10.1021/jo102559s}, author = {Loewer, Yvonne and Weiss, Christine and Biju, Akkattu T. and Frohlich, Roland and Glorius, Frank} } @article { ISI:000296674400011, title = {Synthesis and characterization of bifunctional ethenylene bridged mesoporous organoaluminosilicates}, journal = {Nanoscience and Nanotechnology Letters}, volume = {3}, number = {4}, year = {2011}, month = {AUG}, pages = {497-502}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Bifunctional mesoporous organosilicas having -CH=CH- bridges and aluminium in tetrahedral coordination with tailorable pore sizes have been synthesized using a one-step templating method using cationic surfactants of different chain lengths. Unlike the conventional EtOH-HCl template extraction process, EtOH-NH(4)NO(3) was used as the surfactant-extracting medium and chemical analysis results suggest that through this procedure the mesoporous structure can be retained and dealumination can be minimized. The surfactant-extracted mesoporous solids display high surface area, pore volume and the pore size of the material varies in the range 2.6-3.6 nm, with respect to the alkyl chain length of the cationic surfactant. XRD and nitrogen physisorption studies further proved that the organosilicas are hydro thermally stable than the conventional Al-MCM-41 materials and their better stability is attributed to the thick pore walls as well as due to the presence of hydrophobic bridging ethenylene groups in the wall positions. The coupling of Al(4) with -CH=CH- bridges offer new prospects for the application of periodic mesoporous organosilicas in heterogeneous catalysis.

}, keywords = {Aluminium, Cationic Surfactants, Hydrothermal stability, Organosilicas}, issn = {1941-4900}, doi = {10.1166/nnl.2011.1196}, author = {Shylesh, S. and Kapoor, Mahendra P. and Juneja, Lekh R. and Srilakshmi, Ch. and Singh, A. P.} } @article { ISI:000293519600027, title = {Synthesis and characterization of bile acid-based poly beta amino esters for paclitaxel delivery}, journal = {Journal of Applied Polymer Science}, volume = {122}, number = {1}, year = {2011}, month = {OCT}, pages = {220-232}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

New biodegradable poly beta amino esters were synthesized by the polymerization of Deoxycholic acid (DOCA) in all the structural planes by 1, 4 addition of Trimethylene dipiperidine (TMDP) to diacrylates of Deoxycholyl glycol, Methyl deoxycholate and Trimethylolpropane deoxycholate esters. H-1-NMR, C-13-NMR and IR studies confirmed presence of amine and Deoxycholyl units in polymers. XRD and TGA studies indicated that all the polymers were amorphous and thermostable up to 300 degrees C. DSC studies revealed glass transition temperature (T-g) in the range 70-80 degrees C. All the polymers degraded very slowly in the buffers of pH 1.1, 7.4 and 10 because of the hydrophobic nature of Deoxycholate units. These polymers also exhibited pH sensitivity due to the incorporation of amines along with Deoxycholate units in the backbone. P-Nitroaniline (PNA) release followed anomalous release kinetics. Paclitaxel (PTX) loaded nanospheres prepared from these polymers were spherical and uniform in the size range 75-250 nm and 0.4-1 mu depending upon the method of preparation. PTX loading was in the range 60-90\%, while release (up to 20-60\%) was sustained over a period of 100 h. (c) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 122: 220-232, 2011

}, keywords = {bile acid, biodegradable, Nanoparticles, Paclitaxel, poly beta amino esters}, issn = {0021-8995}, doi = {10.1002/app.34144}, author = {Gangwal, Jitendra J. and Kulkarni, Mohan G.} } @article { ISI:000298764800037, title = {Synthesis and characterization of CdS/PVA nanocomposite thin films from a complexing agent free system}, journal = {Materials Chemistry and Physics}, volume = {131}, number = {1-2}, year = {2011}, month = {DEC}, pages = {223-229}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

CdS/PVA nanocomposite thin films have been deposited on glass substrates by in situ thermolysis of precursors dispersed in polyvinyl alcohol (PVA). The synthetic technique reported in this study is free from complexing agent and hence no need to control the pH of the solution as in the case of conventional CBD. The as-prepared films were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected area electron diffraction (SAED), UV-vis spectroscopy, and photoluminescence (PL) spectra. The XRD and SAED results indicated the formation of CdS nanoparticles with hexagonal phase in the PVA matrix. The photoluminescence and UV-vis spectroscopy revealed that CdS/PVA films showed quantum confinement effect. From the shift in optical band gap, particle sizes were calculated using effective mass approximation (EMA) method and it was found to be in agreement with the results obtained from TEM observations. The SEM results indicated that as grown films were homogeneous with no visible pinholes and cracks. The film prepared at 100 degrees C was found to be suitable for application as a window layer in solar cell. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {CdS/PVA, Nanocomposite, Optical properties, Thermolysis}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2011.09.011}, author = {Saikia, Dulen and Saikia, P. K. and Gogoi, P. K. and Das, M. R. and Sengupta, P. and Shelke, M. V.} } @article { ISI:000287058100062, title = {Synthesis and characterization of chemically deposited nickel substituted CdSe thin film}, journal = {Journal of Alloys and Compounds}, volume = {509}, number = {6}, year = {2011}, month = {FEB}, pages = {2948-2951}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The technologically important Cd(0.5)Ni(0.5)Se thin film has been developed by solution growth technique on non-conducting glass substrate in tartarate bath containing Cd(+2), Ni(+2) ions and sodium selenosulphate in an aqueous alkaline medium at room temperature. Various preparative conditions of the thin films are outlined. The films were characterized by X-ray diffraction, scanning electron microscope, optical absorption and electrical measurements. The X-ray diffraction study indicates that the film is polycrystalline in nature with hexagonal phase. Scanning electron micrograph shows that the film is homogeneous with well-defined grains. The films have high optical absorption coefficient. Thermoelectric power measurement shows p-type conduction mechanism. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, Crystal growth, Electrical conductivity, thin film}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2010.11.165}, author = {Hankare, P. P. and Jadhav, B. V. and Chate, P. A. and Sathe, D. J. and Mulla, Imtiaz S.} } @article {42786, title = {Synthesis and characterization of cholesteric thermotropic liquid crystalline polyesters based on isosorbide}, journal = {Materials Sciences and Applications}, volume = {2}, year = {2011}, month = {OCT}, pages = {1520-1527}, abstract = {

Generally main chain cholesteric thermotropic liquid crystalline polymers are prepared form chiral dia-cid or diol monomer. But these monomers are costly. Isosorbide is chiral cycloaliphatic diol accessible from renewable resources in the form of pure enantiomers. Thus it is used to synthesize main chain cholesteric thermotropic liquid crystalline polymers. Incorporation of phenyl hydroquinone into the backbone of the main chain frustrates chain pack-ing, thus lowering the crystallinity and depressing the melting point below the degradation temperature, also improves the solubility due to disruption of packing and maintains the mechanical and thermal performance. Results: Optical microscopy study reveals that more than 50\% of isosorbide content with phenyl hydroquinone and terephthalic acid showed {\textquotedblleft}yellow iridescent oily streaks{\textquotedblright} with a background of mosaic/marble texture. These are the typical textures of cholesteric liquid crystalline phase. Copolyesters based on phenyl hydroquinone, isosorbide and terephthalic acid are soluble in aprotic solvents like N,N-dimethylacetamide (DMAC), dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), and N-methyl-2-pyrrolidone (NMP). Solubility increases with the content of isosorbide percent. Thermal stabil-ity of all copolyesters was more than 300oC on the basis of 10 wt\% loss. Conclusions: It was found that main chain cholesteric thermotropic liquid crystalline polymers can be prepared form chiral cycloaliphatic diol such as isosorbide. Main chain cholesteric thermotropic liquid crystalline polyesters are prepared from phenyl hydroquinone, isosorbide and terephthalic acid showed thermal stability more than 300oC. Main chain cholesteric thermotropic liquid crystalline polymers are soluble in aprotic solvents like DMAC, DMSO, DMF and NMP

}, keywords = {Cholesteric, Crystallinity, differential scanning calorimetry, Inherent Viscosity, Liquid Crystalline Polymers, Optical Microscopy, Solubility and Solution Polycondensation, Thermo Gravimetric Analysis, thermotropic, Wide Angle X-Ray Diffraction}, doi = {10.4236/msa.2011.210205}, author = {Chavan, Nayaku} } @article { ISI:000292555200034, title = {Synthesis and characterization of cobalt substituted zinc ferri-chromites prepared by sol-gel auto-combustion method}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {22}, number = {8}, year = {2011}, month = {AUG}, pages = {1109-1115}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Mixed metal oxides having spinel structure shows interesting structural properties. In the present investigation, cobalt substituted zinc ferri-chromites were prepared by sol-gel auto-combustion method. The completion of solid state reaction and the formation of spinel phase were identified using X-ray diffraction technique. All the compounds exhibit cubic spinel symmetry and lattice constant shows an irregular trend with substitution of Co. Infra-red spectral studies shows an two strong bands, one around 600 cm(-1) which is attributed to the intrinsic vibrations of tetrahedral complexes and the other at 400 cm(-1) is due to octahedral one. The morphology and size of the particles was found out by scanning electron microscopy while the elemental compositions by elemental dispersive X-ray spectroscopy. The various compounds of the present system Zn1-xCoxFeCrO4 were also investigated for their thermal and electronic studies.

}, issn = {0957-4522}, doi = {10.1007/s10854-010-0268-7}, author = {Hankare, P. P. and Vader, V. T. and Sankpal, U. B. and Patil, R. P. and Jadhav, A. V. and Mulla, Imtiaz S.} } @article { ISI:000297269700002, title = {Synthesis and characterization of new organosoluble aromatic polyamides and polyazomethines containing pendent pentadecyl chains}, journal = {High Performance Polymers}, volume = {23}, number = {7}, year = {2011}, month = {NOV}, pages = {494-505}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

New aromatic polyamides and polyazomethines containing pendent pentadecyl chains were synthesized by polycondensation of pentadecylbenzene-1,3-diamine with (i) four commercially available aromatic diacids, viz., biphenyl-4,4{\textquoteright}dicarboxylic acid, 4,4{\textquoteright}-oxybisbenzoic acid, terephthalic acid and isophthalic acid, and (ii) dialdehydes, viz., terephthaldehyde, isophthaldehyde and a 50 : 50 mol\% mixture of terephthaldehyde, and isophthaldehyde, respectively. Inherent viscosities of polyamides and polyazomethines were in the range 0.35-0.56 dL g(-1) and 0.33-0.38 dL g(-1), respectively, indicating the formation of medium molecular weight polymers. The presence of pendent pentadecyl chains in polyamides and polyazomethines led to an improvement in their solubility in organic solvents. Polyamides could be cast into flexible, transparent and tough films from their solution in N,N-dimethylacetamide while polyazomethines could be solution cast into transparent, flexible and stretchable films from their CHCl(3) solution. (1)H-NMR studies based on amide proton signals and azomethine proton signals indicated the presence of constitutional isomerism in the polyamides and polyazomethines. Wide-angle X-ray diffraction patterns exhibited broad halo indicating that the polymers were amorphous in nature. X-ray diffractograms also displayed sharp reflections in the small angle region (2 theta approximate to 3 degrees) indicating the formation of layered structure arising from packing of flexible pentadecyl chains. The glass transition (T(g)) temperatures of polyamides were in the range 169-215 degrees C while T(g) values for polyazomethines were in the range 16-55 degrees C. The temperature for the 10\% weight loss of polyamides and polyazomethines were in the range 430-460 degrees C and 425-440 degrees C, respectively, in a nitrogen atmosphere, which indicated their good thermal stability. Polyazomethines were also characterized by UV-Vis and photoluminescence spectroscopy and optical band gap (E(g)) values, calculated according to the maximum of the UV absorption, were found to be in the range 2.82-3.10 eV.

}, keywords = {High performance polymers, optical band gap, polyamides, polyazomethines, solubility}, issn = {0954-0083}, doi = {10.1177/0954008311417316}, author = {Sadavarte, Nilakshi V. and Avadhani, C. V. and Wadgaonkar, Prakash P.} } @article { ISI:000291613900071, title = {Synthesis and characterization of organo-soluble poly(ether ether ketone)s and poly(ether ether ketone ketone)s containing pendant pentadecyl chains}, journal = {Journal of Applied Polymer Science}, volume = {121}, number = {6}, year = {2011}, month = {SEP}, pages = {3689-3695}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Poly(ether ether ketone)s and poly(ether ether ketone ketone) s containing pendant pentadecyl chains were synthesized by polycondensation of each of the two bisphenol monomers viz, 1,1,1-[bis(4-hydroxyphenyl)-4{\textquoteright}-pentadecylphenyl] ethane and 1,1-bis(4-hydroxyphenyl)-3-pentadecyl cyclohexane with activated aromatic dihalides namely, 4,4{\textquoteright}-difluorobenzophenone, and 1,3-bis(4-fluorobenzoyl) benzene in a solvent mixture of N,N-dimethylacetamide and toluene, in the presence of anhydrous potassium carbonate. Polymers were isolated as white fibrous materials with inherent viscosities and number average molecular weights in the range 0.70-1.27 dL g(-1) and 76,620-1,36,720, respectively. Poly(ether ether ketone) s and poly(ether ether ketone ketone) s were found to be soluble at room temperature in organic solvents such as chloroform, dichloromethane, tetrahydrofuran, and pyridine and could be cast into tough, transparent, and flexible films from their solutions in chloroform. Wide angle X-ray diffraction patterns exhibited a broad halo at around 2 theta = similar to 19 degrees indicating that the polymers containing pentadecyl chains were amorphous in nature. In the small-angle region, diffuse reflections of a typically layered structures resulting from the packing of pentadecyl side chains were observed. The temperature at 10\% weight loss, obtained from TG curves, for poly(ether ether ketone) s and poly(ether ether ketone ketone) s were in the range 416-459 degrees C, indicating their good thermal stability. A substantial drop in glass transition temperatures (68-78 degrees C) was observed for poly(ether ether ketone) s and poly(ether ether ketone ketone) s due to {\textquoteleft}{\textquoteleft}internal plasticization{\textquoteright}{\textquoteright} effect of flexible pendant pentadecyl chains. (C) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 121: 3689-3695, 2011

}, keywords = {alkyl side-chain, Cashew nut shell liquid, CNSL, pentadecyl, poly(arylene ether)s, poly(ether ketone)s, polyethers, renewable}, issn = {0021-8995}, doi = {10.1002/app.34181}, author = {More, Arvind S. and Pasale, Sharad K. and Honkhambe, Pandurang N. and Wadgaonkar, Prakash P.} } @article { ISI:000289692500038, title = {Synthesis and characterization of poly-L-lysine grafted SBA-15 using NCA polymerization and click chemistry}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {18}, year = {2011}, month = {APR}, pages = {6690-6697}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Poly-L-lysine (PLL) grafted ordered mesoporous material was prepared by a combination of NCA polymerization and click chemistry. Large pore SBA-15 with a mesopore diameter of similar to 12 nm was synthesized using a previously reported method. The surface of this SBA-15 material was modified with azidopropyl groups. This {\textquoteleft}{\textquoteleft}clickable{\textquoteright}{\textquoteright} SBA-15 was then reacted with an alkyne terminated poly-L-lysine synthesized by the ring-opening polymerization of 3-cbz-L-lysine NCA with N-TMS propargylamine as the initiator. This procedure allows grafting of a uniform polymer film with a high polymer loading. No appreciable pore blocking was observed upon grafting of PLL. No change in the periodic structure of the SBA-15 was observed throughout the grafting process. The SBA-15 PLL conjugate was characterized using (13)C and (29)Si NMR, XRD, FT-IR, N(2) adsorption-desorption and thermogravimetry. The results indicate that polypeptides can be easily grafted onto various ordered mesoporous materials by this {\textquoteleft}{\textquoteleft}grafting to{\textquoteright}{\textquoteright} methodology with accessible pores and high loadings of the polypeptide.

}, issn = {0959-9428}, doi = {10.1039/c0jm04589f}, author = {Kar, Mrityunjoy and Malvi, Bharmana and Das, Anindita and Panneri, Suyana and Sen Gupta, Sayam} } @article { ISI:000290038000005, title = {Synthesis and characterization of soluble polyamides from bis-[(4 {\textquoteleft}-aminobenzyl)-4-benzamide] ether and various diacids}, journal = {Polymer Bulletin}, volume = {66}, number = {9}, year = {2011}, month = {MAY}, pages = {1207-1218}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

New aromatic diamine containing preformed amide, ether, and methylene; bis-[(4{\textquoteright}-aminobenzyl)-4-benzamide] ether (BABE), was synthesized and characterized by FT-IR, NMR, and mass spectrometry. Aromatic-aliphatic polyamides were prepared from BABE with aliphatic/aromatic diacids via Yamazaki{\textquoteright}s polymerization. The polyamides were characterized by FT-IR, (1)H NMR, inherent viscosity [eta(inh)], solubility tests, differential scanning calorimetry [DSC], thermogravimetric analysis [TGA], and X-ray diffraction [XRD]. Polyamides had inherent viscosities 0.35-0.84 dL/g, soluble in aprotic polar solvents like N-methyl-2-pyrrolidone, N, N-dimethyl acetamide and dimethyl sulphoxide containing LiCl due to an amorphous to partially crystalline morphology; as XRD patterns indicated. DSC analysis of polyamides showed glass transition temperatures 166-268 A degrees C. Polyamides showed high thermal stability as they did not degrade below 300 A degrees C, had 10\% weight loss temperature higher than 375 A degrees C, and the char yields at 900 A degrees C were 22-55\%; indicating potential applications as engineering materials.

}, keywords = {Aryl-ether and methylene linkages, Bis-[(4 {\textquoteleft}-aminobenzyl)-4-benzamide] ether, Direct phosphorylative polycondensation, Soluble aromatic-aliphatic polyamides, Thermal properties}, issn = {0170-0839}, doi = {10.1007/s00289-010-0344-4}, author = {Patil, A. S. and Sayyed, M. M. and Bhairamadgi, Nagendra S. and Han, Sung-Hwan and Maldar, Noormahamad N.} } @article { ISI:000283805600011, title = {Synthesis and characterization of thermo-sensitive graft copolymer of carboxymethyl guar and poly(N-isopropylacrylamide)}, journal = {Carbohydrate Polymers}, volume = {83}, number = {1}, year = {2011}, month = {JAN}, pages = {74-80}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Thermo-responsive graft copolymers of carboxymethyl guar [CMG] and semitelechelic poly(N-isopropylacrylamide) [PNIPAm] were synthesized by coupling reaction between them using a water-soluble coupling agent namely, 1-(3-(dimethylamino) propyl)-3-ethyl carbodiimide hydrochloride [EDC]. The incorporation of PNIPAm into CMG was confirmed by FT-IR and NMR spectroscopy. The graft copolymers, CMG-g-PNIPAm showed enhanced viscosity as compared to the unmodified CMG in the semi-dilute regime. Due to the presence of a LCST side chains [PNIPAm], the graft copolymers exhibited thermo-responsive nature with respect to temperature which was investigated using pyrene fluorescence probe studies. Although the thermo-responsive property was observed, the thermo-thickening behavior was not seen in these polymers. The graft copolymers in the semi-dilute regime (C(p) approximate to 10-20 g/L) showed viscoelastic properties and the relaxation time, tau, could be obtained from the crossover of frequency (oh) of storage modulus (G{\textquoteright}) and loss modulus (G {\textquoteleft}{\textquoteright}) in the oscillatory experiments. The activation energy {\textquoteleft}E(a){\textquoteright} of associations was investigated using the time temperature superpsition (TTS). These thermo-responsive polymers along with the biodegradability of CMG can have potential application as industrial thickening agent. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Carboxymethyl guar, Poly(N-isopropylacrylamide), Thermo-sensitivity and graft copolymer}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2010.07.023}, author = {Gupta, Nivika R. and Ghute, Pallavi P. and Badiger, Manohar V.} } @article { ISI:000287163600004, title = {Synthesis and drug-delivery behavior of chitosan-functionalized graphene oxide hybrid nanosheets}, journal = {Macromolecular Materials and Engineering}, volume = {296}, number = {2}, year = {2011}, month = {FEB}, pages = {131-140}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Chitosan-functionalized graphene oxides (FGOCs) were successfully synthesized. FGOCs were found to significantly improve the solubility of the GO in aqueous acidic media. The presence of organic groups was confirmed by means of XPS and TGA. Restoration of the sp(2) carbon network and exfoliation of graphene sheets were confirmed by Raman spectroscopy, UV-visible spectroscopy and WAXD. The SEM and AFM investigations of the resultant FGOCs showed that most of the graphene sheets were individual and few were layered. Controlled release behavior of Ibuprofen and 5-fluorouracil was then investigated. We found that FGOCs are a promising new material for biological and medical applications.

}, keywords = {Biocompatibility, Chitosan, drug delivery systems, functionalization of polymers, solution properties}, issn = {1438-7492}, doi = {10.1002/mame.201000307}, author = {Rana, Vijay Kumar and Choi, Myeon-Cheon and Kong, Jin-Yeon and Kim, Gwang Yeon and Kim, Mi Ju and Kim, Sun-Hee and Mishra, Satyendra and Singh, Raj Pal and Ha, Chang-Sik} } @article { ISI:000289003000012, title = {Synthesis and optical studies of GdCrO3 nanoparticles}, journal = {Journal of Nanoparticle Research}, volume = {13}, number = {3}, year = {2011}, month = {MAR}, pages = {1019-1027}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

{Here we report for the first time, a detailed synthesis mechanism of GdCrO3 nanoparticles using a surfactant-less hydrothermal method. We also report a detailed study of their structural and optical properties. The selected area electron diffraction and powder X-ray diffraction studies of GdCrO3 nanoparticles show pure phase and excellent crystallinity with average particle size around 50-60 nm. The structural analysis indicates a distorted perovskite crystal structure with lattice parameter values of a = 5.3099 +/- A 0.0022

}, keywords = {hydrothermal, Nanoparticles, Rare earth orthochromites}, issn = {1388-0764}, doi = {10.1007/s11051-010-0090-4}, author = {Jaiswal, Adhish and Das, Raja and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000286633000031, title = {Synthesis and photopolymerization kinetics of linear alicyclic urethane acrylate macromonomer in presence of reactive diluents}, journal = {Journal of Materials Science}, volume = {46}, number = {7}, year = {2011}, month = {APR}, pages = {2221-2228}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

This study deals with the photopolymerization of a macromonomer in the presence of reactive diluents using Photo Differential Scanning Calorimetry or Photo DSC. The kinetic profiles of these systems showed that the rate of photopolymerization rapidly increases at very early stages of the reaction. The rate of reaction was further found to increase with the addition of crosslinking agents. The addition of trifunctional crosslinking agent to the macromonomeric formulation resulted in a higher polymerization rate and conversion than that of a difunctional crosslinking agent. From the heat flow profiles, the kinetic parameters such as induction time, time to attain peak maximum, rate of maximum polymerization, and final conversion were noted for all the formulations. The initiation of photopolymerization was found to depend on the functionality while the in situ viscosity controlled the time scale for reaction diffusion which resulted in varying levels of conversions. Other parameters such as effect of temperature and concentration of photoinitiator on photocuring kinetics are also discussed.

}, issn = {0022-2461}, doi = {10.1007/s10853-010-5060-9}, author = {Harikrishna, Reghunathan and Bhosle, Sonali Madhavrao and Ponrathnam, S. and Rajan, C. R.} } @article { ISI:000294506200003, title = {Synthesis and structural characterization of a solvated dimorph of a hydrazonato-oxovanadium(v) complex with [OV(mu-O)VO] core}, journal = {Journal of the Indian Chemical Society}, volume = {88}, number = {7}, year = {2011}, month = {JUL}, pages = {937-941}, publisher = {SCIENTIFIC PUBL-INDIA}, address = {5-A, NEW PALI RD, PO BOX 91, NEAR HOTEL TAJ HARI MAHAL, JODHPUR, 342 003, INDIA}, abstract = {

In this paper we report the synthesis and structural characterization of a different monoclinic variety of the title complex [V2O3(L)(2)], incorporating the doubly deprotonated benzoyl hydrazone of 5-chloro-2-hydroxyacetophenone (H2L) with P2(1)/c space group that showed some differences in bonding patterns in the solid state with respect to its another monoclinic variety with C2/c space group reported earlier.

}, keywords = {crystal structure, dimorphism, hydrazone complex, Oxovanadium(v) complex}, issn = {0019-4522}, author = {Mondal, Bipul and Banerjee, Rahul and Ghosh, Tapas} } @article { ISI:000297737900020, title = {Synthesis and structural characterization of homochiral homo-oligomers of parent CIS- and trans-furanoid-beta-amino acids}, journal = {Chemistry-A European Journal}, volume = {17}, number = {46}, year = {2011}, month = {NOV}, pages = {12946-12954}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

The synthesis of homochiral homo-oligomers of cis- and trans-3-aminotetrahydrofuran-2-carboxylic acids (parent cis- and trans-furanoid-beta-amino acids, referred to as {\textquoteleft}{\textquoteleft}cis-/trans-FAA{\textquoteright}{\textquoteright}) has been carried out to understand their secondary structures and their dependence on the ring heteroatom. The oligomers of two diastereomers have been shown to have a distinct left-handed helicity. The cis-FAA homo-oligomers show a 14-helix structure, in contrast to the homo-oligomers of cis-ACPC, which adopt a sheet like structure. The trans-FAA homo-oligomers were found to adopt a 12-helix structure, the same trend found in trans-ACPC homo-oligomers. With the help of ab initio calculations, the structural features of cis-ACPC and cis-FAA hexamers were compared. We believe that the more compact packing of the cis-FAA hexapeptide should be due to a more favorable interaction between the ring and the backbone amide hydrogen.

}, keywords = {ab initio calculations, Amino acids, Density functional calculations, Peptides, secondary structures}, issn = {0947-6539}, doi = {10.1002/chem.201101855}, author = {Pandey, Sunil K. and Jogdand, Ganesh F. and Oliveira, Joao C. A. and Mata, Ricardo A. and Rajamohanan, Pattuparambil R. and Ramana, Chepuri V.} } @article { ISI:000288141700012, title = {Synthesis, characterisation of polymer-supported palladium-2-methylimidazole complex catalyst for the hydrogenation of aromatic nitro compounds}, journal = {Journal of Chemical Research}, number = {2}, year = {2011}, month = {FEB}, pages = {112-115}, publisher = {SCIENCE REVIEWS 2000 LTD}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {

A polymer-supported palladium-2-methylimidazole complex was synthesised and characterised by various physicochemical methods. The complex was successfully used as a catalyst for the hydrogenation of nitrobenzene and a few of its derivatives under ambient conditions. Results reveal that the electronic as well as the steric effects of the substitutent control the rate of hydrogenation of the nitro group in the studied nitro compounds. The kinetics of hydrogenation and the reusability of the catalyst were also studied.

}, keywords = {aromatic nitro compounds, Hydrogenation, polymer-supported complex catalyst, transition metal complexes}, issn = {1747-5198}, doi = {10.3184/174751911X556855}, author = {Velua, Udayakumar and Stanislaus, Alexander and Virupaiah, Gayathri and Shivakumaraiah and Patil, Kashinath Rangu and Balasubramanian, Viswanathan} } @article { ISI:000285956600023, title = {Synthesis, electronic structure, DNA and protein binding, DNA cleavage, and anticancer activity of fluorophore-labeled copper(II) complexes}, journal = {Inorganic Chemistry}, volume = {50}, number = {2}, year = {2011}, month = {JAN}, pages = {545-558}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two mononuclear fluorophore-labeled copper(II) complexes [Cu(nip)(acac)](+) (2) and [Cu(nip)(2)](2+) (3), where fluorophore is 2-(naphthalen-1-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (nip) (1) and acac is acetylacetone, have been synthesized aid characterized by various techniques. The ligand 1 and complex 2 are structurally characterized by single-crystal X-ray diffraction. The coordination geometries around the copper are square planar in solid as well as solution state as evidenced by electron paramagnetic resonance (EPR) spectroscopy. The density functional calculations carried out on 1-3 have shown that electron-rich regions in the highest occupied orbital are localized on the naphthalene end partly on the phenanthroline moiety. Both complexes 2 and 3 in dimethyl sulfoxide (DMSO) exhibit near square planar structure around the metal ion in their ground state. Time-dependent density functional theory (TD-DFT) calculations reveal that Cu(II) ion in complex 2 shows tetrahedral coordination around the metal while 3 retains its square planar geometry in the lowest excited state. The interaction of complexes with calf-thymus DNA (CT DNA) has been explored by using absorption, emission, thermal denaturation, and viscosity studies, and the intercalating mode of DNA binding has been proposed. The complexes cleave DNA oxidatively without any exogenous additives. The protein binding ability has been monitored by quenching of tryptophan emission in the presence of complexes using bovine serum albumin (BSA) as model protein. The compounds showed dynamic quenching behavior. Further, the anticancer activity of the complexes on MCF-7 (human breast cancer), HeLa (human cervical cancer), HL-60 (human promyelocytic leukemia), and MCF-12A (normal epithelial) cell lines has been studied. It has been observed that 3 exhibits higher cytotoxicity than 2, and the cells undergo apoptotic cell death.

}, issn = {0020-1669}, doi = {10.1021/ic101534n}, author = {Bhat, Satish S. and Kumbhar, Anupa A. and Heptullah, Hussain and Khan, Ayesha A. and Gobre, Vivekanand V. and Gejji, Shridhar P. and Puranik, Vedavati G.} } @article { ISI:000293939800014, title = {Synthesis of bis-allyloxy functionalized polystyrene and poly (methyl methacrylate) macromonomers using a new ATRP initiator}, journal = {European Polymer Journal}, volume = {47}, number = {8}, year = {2011}, month = {AUG}, pages = {1621-1629}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new bis-allyloxy functionalized ATRP initiator, viz, 4,4-bis (4-(allyloxy) phenyl) penty1-2-bromo-2-methylpropanoate was synthesized starting from commercially available 4,4-bis (4-hydroxyphenyl) pentanoic acid. Atom transfer radical polymerization of styrene in bulk and that of methyl methacrylate in anisole using CuBr/N,N,N{\textquoteright},N{\textquoteright},N {\textquoteleft}{\textquoteright}-pentamethyldiethyl-enetriamine system was carried out. The kinetic study of styrene polymerization showed controlled polymerization behavior. Bis-allyloxy functionalized well-defined polystyrene (M(n)(GPC): 13,600-28,250, PDI: 1.07-1.09) and poly (methyl methacrylate) (M(n)(GPC): 10,100-18,450, PDI: 1.23-1.34) macromonomers were obtained. The presence of allyloxy functionality was confirmed by (1)H NMR spectroscopy. The reactivity of allyloxy functionality was demonstrated by carrying out organic reactions such as addition of bromine and hydrosilylation on polystyrene macromonomer. Polystyrene macromonomer with bis-allyloxy functionality was transformed into bis-epoxy functionalized polystyrene macromonomer using 3-chloroperoxybenzoic acid. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Allyloxy end-functional polymer, Atom transfer radical polymerization (ATRP), Macromonomers, Poly (methyl methacrylate), Polystyrene}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2011.05.012}, author = {Sane, Prakash S. and Palaskar, Dnyaneshwar V. and Wadgaonkar, Prakash P.} } @article { ISI:000289330000005, title = {Synthesis of C1- and C8a-epimers of (+)-castanospermine from D-glucose derived gamma,delta-epoxyazide: intramolecular 5-endo epoxide opening approach}, journal = {Tetrahedron}, volume = {67}, number = {15}, year = {2011}, month = {APR}, pages = {2773-2778}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A concise synthesis of two diastereomers of (+)-castanospermine namely 1- and 8a-epi-castanospermine 1b and 1c, respectively, is reported from D-glucose. The methodology involves stereoselective cross metathesis of D-glucose derived alkene 2 with 4-bromo-1-butene followed by azide displacement and m-CPBA oxidation to afford diastereomeric gamma,delta-epoxyazides 5a/5b. The Staudinger reaction of epoxyazide 5a followed by reaction with benzylchloroformate (CbzCl) unexpectedly furnished 1,3-oxazinan-2-one derivative 7 whose stereochemistry was establish by single crystal X-ray. This helps to assign the stereochemistry in the epoxidation reaction. The reduction of 5a/5b was then carried out by transfer hydrogenation to provide gamma,delta-epoxyamine that concomitantly undergoes intramolecular 5-endo-tet cyclization to afford hydroxypyrrolidine ring skeleton with sugar framework-a precursor to castanospermine analogues 1b/1c. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {alkaloids, Cross metathesis, D-Glucose, Epoxide, Oxazinanone, Polyhydroxy indolizidines}, issn = {0040-4020}, doi = {10.1016/j.tet.2011.02.030}, author = {Kalamkar, Navnath B. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000291293600027, title = {Synthesis of cube-shaped gold nanostructures by electron irradiation}, journal = {Materials Letters}, volume = {65}, number = {11}, year = {2011}, month = {JUN}, pages = {1605-1607}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The needle-like gold nanostructures were synthesized by using chloroauric acid (HAuCl(4)) as a metal precursor and sodium borohydride (NaBH(4)) as the reducing agent. These needle-like nanostructures of gold were irradiated with high energy electrons (E-6 MeV, phi similar to 10(12) e cm(-2) s(-1)). The pre- and post-irradiated gold nanostructures were characterized by Scanning Electron Microscopy (SEM), UV-vis spectroscopy, X-ray Diffraction (XRD) and contact angle measurement (GBX-Model Digidrop) techniques. The results of the SEM revealed that after electron irradiation, the needle-like gold structures got fragmented into identical cube-shaped gold nanostructures, though of different sizes. The XRD analysis indicated that the average crystallite size of the gold nanostructures remained unchanged even after irradiation with high energy electrons. A glass surface showed hydrophilic behavior when coated with needle-like nanostructures and became ultra hydrophilic when coated with cube-shaped gold nanostructures. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Gold nanostructures, High energy electron irradiation, Nanostructured materials, Radiation damage, Surfaces, Ultra hydrophilic surfaces}, issn = {0167-577X}, doi = {10.1016/j.matlet.2011.02.053}, author = {Dhumale, Vinayak A. and Gangwar, Rajesh K. and Shah, Preeti V. and Bhoraskar, Vasant N. and Mulla, Imtiaz S. and Sharma, Rishi B.} } @article { ISI:000291725100012, title = {Synthesis of Cu-ZnO and C-ZnO nanoneedle arrays on zinc foil by low temperature oxidation route: effect of buffer layers on growth, optical and field emission properties}, journal = {Applied Surface Science}, volume = {257}, number = {20}, year = {2011}, month = {AUG}, pages = {8366-8372}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Different densities of ZnO nanoneedle films have been prepared by pre-coated zinc foils with thin layer of copper and carbon followed by thermal oxidation at 400 degrees C in air. The X-ray diffraction patterns show well defined peaks, which could be indexed to the wurtzite hexagonal phase of ZnO. The scanning electron microscope images clearly reveal formation of ZnO needles on the entire substrate surface. The X-ray photoelectron spectroscopy studies indicate that Cu and C ions are incorporated into the ZnO lattice. Photoluminescence studies evaluate different emission bands originated from different defect mechanism. From the field emission studies, the threshold field, required to draw emission current density of similar to 100 mu A/cm(2), is observed to be 2.25 V/mu m and 1.57 V/mu m for annealed zinc foil pre-coated with copper and carbon, respectively. The annealed film with copper layer exhibits good emission current stability at the pre-set value of similar to 100 mu A over a duration of 4 h. The results show that buffer layer is an important factor to control the growth rate, resulting in different density of ZnO needles, which leads to field emission properties. This method may have potential in fabrication of electron sources for high current density applications. (C) 2011 Elsevier B. V. All rights reserved.

}, keywords = {Buffer layer, Carbon, Copper, field emission, Nanoneedle, ZnO}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2011.04.023}, author = {Jamali-Sheini, Farid and Patil, K. R. and Joag, Dilip S. and More, Mahendra A.} } @article { ISI:000288386700006, title = {Synthesis of glycopolypeptides by the ring opening polymerization of O-glycosylated-alpha-amino acid N-carboxyanhydride (NCA)}, journal = {Polymer Chemistry}, volume = {2}, number = {4}, year = {2011}, month = {FEB}, pages = {805-811}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The novel synthesis of O-glycosylated lysine-NCA from a stable glycosyl donor and a commercially available protected amino acid in very high yield is reported. These O-glycosylated lysine-NCA monomers underwent ring opening polymerization using simple primary amine initiators to form well defined, high molecular weight homoglycopolypeptides and diblock co-glycopolypeptides. The synthesis of azide labelled end functionalized glycopolypeptides and amphiphilic diblock copolypeptides is also reported. This methodology represents an easy and practical route to the synthesis of O-glycosylated polypeptides with 100\% glycosylation.

}, issn = {1759-9954}, doi = {10.1039/c0py00412j}, author = {Pati, Debasis and Shaikh, Ashif Y. and Hotha, Srinivas and Sen Gupta, Sayam} } @article { ISI:000288393700001, title = {Synthesis of gold nanoparticles by various leaf fractions of Semecarpus anacardium L. tree}, journal = {Trees-Structure and Function}, volume = {25}, number = {2}, year = {2011}, month = {APR}, pages = {145-151}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Gold nanoparticles (NPs) were synthesized using Semecarpus anacardium leaf extracts in water and the green biomass. Extract prepared at ambient condition by crushing the leaves in deionized water is identified as {\textquoteleft}green extract{\textquoteright}, and that by boiling the leaf pieces as {\textquoteleft}boiled extract{\textquoteright}. The mass remaining after separating the {\textquoteleft}green extract{\textquoteright} is identified as {\textquoteleft}green biomass{\textquoteright}. These components triggered rapid reduction of Au(III) to Au (0) in HAuCl4 solution indicating the natural ability of the leaves of S. anacardium to synthesize NPs in ambient conditions. Green extract produced more NPs compared to the boiled extract suggesting denaturization of some of the useful factors due to boiling. NPs were quantified using UV and ICP-AES analysis. These were characterized using Transmission electron microscopy, Fourier transform infrared spectroscopy and X-ray diffraction. TEM images of the particles formed with green extract, boiled extract and green biomass showed that the particles were of different shapes and sizes.

}, keywords = {Biosynthesis, gold nanoparticles, Green extract, Semecarpus, TEM}, issn = {0931-1890}, doi = {10.1007/s00468-010-0493-y}, author = {Raju, D. and Mehta, Urmil J. and Hazra, Sulekha} } @article { ISI:000286577400023, title = {Synthesis of molluscicidal agent cyanolide a macrolactone from D-(-)-pantolactone}, journal = {Journal of Organic Chemistry}, volume = {76}, number = {3}, year = {2011}, month = {FEB}, pages = {963-966}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient synthesis of potent molluscicidal agent cyanolide A, a glycosidic 16-membered macrolide, starting from D-(-)-pantolactone is reported. Highly stereoselective aldol, oxa-Michael addition, and Yamaguchi macrolactonization are the key steps in the present synthesis.

}, issn = {0022-3263}, doi = {10.1021/jo101782q}, author = {Hajare, Atul K. and Ravikumar, Velayutham and Khaleel, Shaik and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000293436100018, title = {Synthesis of novel dihydrooxazine and oxazoline based sugar hybrids from sugar azides}, journal = {Tetrahedron Letters}, volume = {52}, number = {33}, year = {2011}, month = {AUG}, pages = {4313-4315}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A convenient one-step method for the synthesis of novel dihydrooxazine and oxazoline based sugar hybrids is reported starting from the readily accessible sugar azides and aldehydes. We have used Aube{\textquoteright}s protocol to achieve this transformation. The resulting glycoconjugates could be used to increase the diversity on the sugar backbone and may find applications as potential glycomimetics and in drug discovery. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Dihydrooxazine, Glycoconjugate, Hydroxy azide, Oxazoline, Sugar azide, Sugar hybrids}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.06.035}, author = {Kurhade, Suresh E. and Ravula, Sudhir and Siddaiah, V. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article {42720, title = {Synthesis of peptides and pyrazines from beta-aminoalcohols via extrusion of H2 catalyzed by ruthenium pincer complexes. ligand controlled selectivity}, journal = {Angewandte Chemie}, volume = {123}, year = {2011}, month = {OCT}, pages = {12448{\textendash}12452}, abstract = {

Bitte w{\"a}hlen: Die Wahl des Katalysators, eines Ru-Pinzettenkomplexes, bestimmt, ob Peptide oder Pyrazine aus β-Aminoalkoholen entstehen: Der PNN-Komplex 1 f{\"u}hrt, je nach Substituent R (siehe Schema), zu linearem Polyalanin oder zu cyclischen Dipeptiden, der PNP-Komplex 2 katalysiert die Bildung von Pyrazinen. Die Reaktionen finden in homogener L{\"o}sung unter neutralen Bedingungen statt.

}, doi = {10.1002/ange.201105876}, author = {Gnanaprakasam, Boopathy and Balaraman, Ekambaram and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000295187300051, title = {Synthesis of poly-L-glutamic acid grafted silica nanoparticles and their assembly into macroporous structures}, journal = {Langmuir}, volume = {27}, number = {19}, year = {2011}, month = {OCT}, pages = {12124-12133}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Polypeptide-coated silica nanoparticles represent an interesting class of organic inorganic hybrids since the ordered secondary structure of the polypeptide grafts imparts functional properties to these nanoparticles. The synthesis of a poly-L-glutamic acid (PLGA) silica nanoparticle hybrid by employing N-carboxyanhydride (NCA) polymerization to synthesize the polypeptide chains and Cu catalyzed azide alkyne cycloaddition reaction to graft these chains onto the silica surface is reported. This methodology enables the synthesis of well-defined polypeptide chains that are attached onto the silica surface at high surface densities. The PLGA-silica conjugate particles are well dispersed in water, and have been thoroughly characterized using multinuclear (C-13, Si-29) solid state NMR, thermogravimetric analysis, Fourier transform infrared, dynamic light scattering, and transmission electron microscopy. The pH-dependent reversible aggregation of the PLGA-silica particles, driven by the change in PLGA structure, has also been studied. Preliminary results on the use of aqueous dispersions of silica-PLGA for the preparation of three-dimensional macroporous structures with oriented pores by ice templating methodology are also demonstrated. These macroporous materials, comprising a biocompatible polymer shell covalently attached to rigid inorganic cores, adopts an interesting lamellar structure with fishbone-type architecture.

}, issn = {0743-7463}, doi = {10.1021/la202036c}, author = {Kar, Mrityunjoy and Pauline, Minois and Sharma, Kamendra and Kumaraswamy, Guruswamy and Sen Gupta, Sayam} } @article { ISI:000288950300006, title = {Synthesis of (R)-selegiline via hydrolytic kinetic resolution}, journal = {Synthetic Communications}, volume = {41}, number = {9}, year = {2011}, month = {MAR}, pages = {PII 935777980}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

[image omitted] A short and enantioselective formal synthesis of (R)-selegiline has been achieved using Jacobsen{\textquoteright}s hydrolytic kinetic resolution (HKR) of phenyl propylene oxide.

}, keywords = {Cobalt-based chiral salen complex, Hydrolytic kinetic resolution, MAO inhibitors, phenyl propylene oxide, selegiline}, issn = {0039-7911}, doi = {10.1080/00397911.2010.481751}, author = {Kondekar, Nagendra B. and Kumar, Pradeep} } @article { ISI:000286860900003, title = {Synthesis of silver nanoparticles in an aqueous suspension of graphene oxide sheets and its antimicrobial activity}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {83}, number = {1}, year = {2011}, month = {MAR}, pages = {16-22}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A solution-based approach to the synthesis of silver (Ag) nanoparticles by chemical reduction of AgNO3 in a graphene oxide (GrO) suspension is demonstrated. X-ray diffraction and transmission electron microscopy indicate that the Ag nanoparticles, of size range 5-25 nm, were decorated on the GrO sheets. The size and shape of the Ag nanoparticles are dependent on the concentration of the AgNO3 solution. Antimicrobial activity of such hybrids materials is investigated against the Gram negative bacteria Escherichia coli and Pseudomonous aeruginosa. The bacterial growth kinetics was monitored in nutrient broth supplemented with the Ag nanoparticle-GrO suspension at different conditions. It was observed that P. aeruginosa is comparatively more sensitive to the Ag nanoparticle-GrO suspension. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Antimicrobial activity, Escherichia coli, graphene oxide, Pseudomonous aeruginosa, Silver nanoparticle}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2010.10.033}, author = {Das, Manash R. and Sarma, Rupak K. and Saikia, Ratul and Kale, Vinayak S. and Shelke, Manjusha V. and Sengupta, Pinaki} } @article { ISI:000288218300045, title = {Synthesis of single crystalline CdS nanocombs and their application in photo-sensitive field emission switches}, journal = {Nanoscale}, volume = {3}, number = {3}, year = {2011}, month = {JAN}, pages = {1078-1083}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Single crystalline CdS nanocombs were synthesized by a thermal evaporation route. The photo-sensitive field emission current shows a reproducible switching behavior, with a rise in current level of nearly five times the initial preset value of similar to 1 mu A. An ultra low turn-on field, required to draw an emission current density of similar to 0.1 mu A cm(-2) (100 nA), is found to be similar to 0.26 V mu m(-1) (260 V), which is much lower than the reported values for various other CdS nanostructures. Upon illumination with visible light the CdS nanocombs act as a photo field emission switch. At an applied field of similar to 0.65 V mu m(-1) the current densities are observed to be similar to 14.6 mu A cm(-2) and similar to 26.9 mu A cm(-2), without and with light illumination, respectively. The average emission current is seen to be stable over the duration of measurement for two preset values. The high sensitivity and fast response in the visible range indicates that the CdS nanocombs can be used as a photo-sensitive field emitting switch in device applications, and also in pulsed electron beam technology.

}, issn = {2040-3364}, doi = {10.1039/c0nr00659a}, author = {Chavan, Padmakar G. and Badadhe, Satish S. and Mulla, Imtiaz S. and More, Mahendra A. and Joag, Dilip S.} } @article { ISI:000286995800020, title = {Synthesis of tetrahydro-5-azaindoles and 5-azaindoles using pictet-spengler reaction-appreciable difference in products using different acid catalysts}, journal = {Tetrahedron}, volume = {67}, number = {5}, year = {2011}, month = {FEB}, pages = {936-942}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Pictet-Spengler condensation of 2-(aryl)-2-(1H-pyrrol-2-yl)ethanamines using conventional acid catalysts like TMSCl or TFA resulted in the formation of substituted 5-azaindoles involving a tandem one pot four steps reaction sequence. By contrast use of glacial acetic acid furnished the targeted tetrahydro-5-azaindoles in diastereoselective manner. These were readily dehydrogenated to 5-azaindoles. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {2-(Aryl)-2-(1H-pyrrol-2-yl)ethanamines, 4, 7-Disubstituted-5-azaindoles, 7-Disubstituted-tetrahydro-5-azaindoles, Diastereoselective Pictet-Spengler reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.12.003}, author = {Shumaila, Abdullah M. A. and Puranik, Vedavati G. and Kusurkar, Radhika S.} } @article {42822, title = {Systems view of the protein expression process}, journal = {Systems and Synthetic Biology}, volume = {5}, year = {2011}, month = {DEC}, pages = {139{\textendash}150}, abstract = {

Many biological processes are regulated by changing the concentration and activity of proteins. The presence of a protein at a given subcellular location at a given time with a certain conformation is the result of an apparently sequential process. The rate of protein formation is influenced by chromatin state, and the rates of transcription, translation, and degradation. There is an exquisite control system where each stage of the process is controlled both by seemingly unregulated proteins as well as through feedbacks mediated by RNA and protein products. Here we review the biological facts and mathematical models for each stage of the protein production process. We conclude that advances in experimental techniques leading to a detailed description of the process have not been matched by mathematical models that represent the details of the process and facilitate analysis. Such an exercise is the first step towards development of a framework for a systems biology analysis of the protein production process.

}, doi = {10.1007/s11693-011-9088-1}, author = {Gokhale, Sucheta A. and Nyayanit, Dimpal and Gadgil, Chetan J.} } @article { ISI:000306790900018, title = {Sad demise of Dr. Doraiswamy, former CSIR-NCL director}, journal = {National Academy Science Letters-India}, volume = {35}, number = {3}, year = {2012}, month = {JUN}, pages = {241-242}, publisher = {NATL ACAD SCIENCES INDIA}, address = {5 LAJPATRAI RD, ALLAHABAD 211002, INDIA}, issn = {0250-541X}, doi = {10.1007/s40009-012-0055-5}, author = {Ingle, P. K.} } @article { ISI:000307748700004, title = {Scandium-decorated MOF-5 as potential candidates for room-temperature hydrogen storage: a solution for the clustering problem in MOFs}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {33}, year = {2012}, month = {AUG}, pages = {17336-17342}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Transition-metal-based systems show promising binding energy for hydrogen storage but suffer from clustering problem. The effect of light transition metal (M = Sc, Ti) decoration, boron substitution on the hydrogen storage properties of MOF-5, and clustering problem of metals has been investigated using ab initio density, functional theory. Our results of solid-tate calculations reveal that whereas Ti clusters strongly Sc atoms do not suffer from this problem when decorating MOF-5. Boron substitution on metal-decorated MOF-5 enhances the interaction energy of both the metals with MOF-5. Sc-decorated MOF-5 shows a hydrogen storage capacity of 5.81 wt \% with calculated binding energies of 20-40 kJ/mol, which ensures the room-teniperature applicability of this hydrogen storage material.

}, issn = {1932-7447}, doi = {10.1021/jp302852h}, author = {Dixit, Mudit and Maark, Tuhina Adit and Ghatak, Kamalika and Ahuja, Rajiv and Pal, Sourav} } @article { ISI:000306933400046, title = {Segmented flow synthesis of Ag nanoparticles in spiral microreactor: role of continuous and disperzsed phase}, journal = {Chemical Engineering Journal}, volume = {192}, year = {2012}, month = {JUN}, pages = {357-368}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

This work focuses on understanding the effect of segmented flow on the nanoparticle size distribution in a unidirectionally expanding spiral microreactor, where secondary flows are prevalent in the absence of segmentation. Stearic acid sophorolipid reduced/capped Ag NPs were synthesized in the aqueous phase and air or kerosene was used as inert phases for creating the gas-liquid and liquid-liquid segmented flow, respectively. While, in one case the reactant phase is in the form of dispersed phase slugs, in the other case it is in the form of continuous phase, each exhibiting a different behavior. The slug sizes and the slip velocity, both of which govern the nature of internal mixing in the reactant phase slug controlled the nanoparticle size distribution. This observation was consistent for both, gas-liquid and liquid-liquid segmented flows. The micromixer having smaller orifice diameter yielded smaller slugs and also a narrow particle size distribution. In general, the particle sizes were much smaller for gas-liquid flow rather than for liquid-liquid flow. Because of the unidirectionally expanding spiral geometry of the channel, at any given condition, unsteady behavior of slugs due to continuously varying radius of curvature results in variation in the slip velocity along the length of microchannel. This effect was seen to further narrow the particle size distribution than alone by the segmented flow. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Ag nanoparticles, Segmented flow synthesis, Sophorolipid, Spiral microreactor}, issn = {1385-8947}, doi = {10.1016/j.cej.2012.02.084}, author = {Kumar, D. V. Ravi and Bhagavatula L. V. Prasad and Kulkarni, Amol A.} } @article { ISI:000311350000009, title = {Selective oxidation of cyclic olefins over framework Ti-substituted, three-dimensional, mesoporous Ti-SBA-12 and Ti-SBA-16 molecular sieves}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {59-68}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Framework Ti-substituted, three-dimensional, mesoporous titanosilicates, Ti-SBA-12 and Ti-SBA-16, were prepared by direct hydrothermal synthesis method. These catalysts showed catalytic activity higher than the hitherto known titanosilicates for the oxidation of cyclic olefins (cyclohexene and cyclooctene) with tert.-butyl hydroperoxide. An epoxide selectivity of 100\% and olefin conversion greater than 92\% were obtained. Cubic Ti-SBA-16 with interconnected cage-like mesopore structure was more active than hexagonal Ti-SBA-12. X-ray diffraction and diffuse reflectance UV-vis, Fourier transform infrared, Raman and electron paramagnetic resonance spectroscopies provided evidence for the substitution of Ti4+ (for Si4+) in the framework locations. The catalytic activity correlated with the concentration of framework-substituted, tetrahedral Ti4+ ions. Easy accessibility of the active sites and the three-dimensional mesoporous structure are the possible causes for the superior activity of these titanosilicate catalysts. (C) 2012 Elsevier B. V. All rights reserved.

}, keywords = {Epoxidation of cyclic olefins, mesoporous materials, Molecular sieves, Selective oxidation, Ti-SBA-12, Ti-SBA-16, Titanosilicates}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.01.035}, author = {Kumar, Anuj and Srinivas, Darbha} } @article { ISI:000310744400011, title = {Selective oxidation of nonrefractory and refractory sulfides by cyclopentadienyl molybdenum acetylide complexes as efficient catalysts}, journal = {Catalysis Letters}, volume = {142}, number = {11}, year = {2012}, month = {NOV}, pages = {1352-1360}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

{The synthesis and catalytic properties of molybdenum acetylide complexes CpMo(CO)(3)(-C CR)

}, keywords = {Homogeneous catalysis, Molybdenum acetylide, Oxo-peroxo species, Refractory sulfide oxidation}, issn = {1011-372X}, doi = {10.1007/s10562-012-0898-x}, author = {Chandgude, Macchindra G. and Biradar, Ankush V. and Kotbagi, Trupti V. and Puranik, Vedavati G. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000301955900026, title = {Selective recognition of fluoride and acetate by a newly designed ruthenium framework: experimental and theoretical investigations}, journal = {Dalton Transactions}, volume = {41}, number = {15}, year = {2012}, month = {FEB}, pages = {4484-4496}, type = {Article}, abstract = {

{An effective anion sensor, [Ru-II(bpy)(2)(H2L-)](+) (1(+)), based on a redox and photoactive {Ru-II(bpy)(2)} moiety and a new ligand (H3L = 5-(1H-benzo[d]imidazol-2-yl)-1H-imidazole-4-carboxylic acid), has been developed for selective recognition of fluoride (F-) and acetate (OAc-) ions. Crystal structures of the free ligand, H3L and [1](ClO4) reveal the existence of strong intramolecular and intermolecular hydrogen bonding interactions. The structure of [1](ClO4) shows that the benzimidazole N-H of H2L- is hydrogen bonded with the pendant carboxylate oxygen while the imidazole N-H remains free for possible hydrogen bonding interaction with the anions. The potential anion sensing features of 1(+) have been studied by different experimental and theoretical (DFT) investigations using a wide variety of anions, such as F-, Cl-, Br-, I-, HSO4-, H2PO4-, OAc- and SCN-. Cyclic voltammetry and differential pulse voltammetry established that 1(+) is an excellent electrochemical sensor for the selective recognition kof F- and OAc- anions. 1(+) is also found to be a selective colorimetric sensor for F- or OAc- anions where the MLCT band of the receptor at 498 nm is red shifted to 538 nm in the presence of one equivalent of F- or OAc- with a distinct change in colour from reddish-orange to pink. The binding constant between 1(+) and F- or OAc- has been determined to be logK = 7.61 or 7.88, respectively, based on spectrophotometric titration in CH3CN. The quenching of the emission band of 1(+) at 716 nm (lambda(ex) = 440 nm

}, doi = {10.1039/c2dt12126c}, author = {Kundu, Tanaya and Chowdhury, Abhishek Dutta and De, Dipanwita and Mobin, Shaikh M. and Puranik, Vedavati G. and Datta, Anindya and Lahiri, Goutam Kumar} } @article { ISI:000311864500004, title = {Selectivity tuning options in hydrogenation of m-chloronitrobenzene to m-chloroaniline over mono- and bimetallic supported Pt catalysts}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {48}, year = {2012}, month = {DEC}, pages = {15564-15572}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Supported monometallic (Pt, Ni,) and bimetallic (Ni-Pt) catalysts were prepared for the selective liquid phase hydrogenation of m-chlronitrobenzene to m-chloroaniline (m-CAN). It was found that the use of sodium carbonate as an additive substantially reduced the extent of dehydrohalogenation in the case of monometallic, 1\% Pt/C catalyst, to give the highest selectivity of 96\% to m-CAN. Ni-Pt bimetallic catalyst although showed almost complete selectivity (\>99\%) to m-chloroaniline; its activity was several fold lower than that of 1\% Pt/C Na2CO3 system. However, compared with Ni monometallic catalyst, bimetallic Ni-Pt showed higher activity and selectivity due to the presence of electron rich surface metallic Pt stabilized by Ni having lower ionization potential compared with Pt.

}, issn = {0888-5885}, doi = {10.1021/ie301363x}, author = {Mane, Rasika B. and Potdar, Aparna S. and Nadgeri, Jayprakash M. and Biradar, Narayan S. and Rode, Chandrashekhar V.} } @article { ISI:000312148500036, title = {Self photostabilizing UV-durable MWCNT/polymer nanocomposites}, journal = {RSC Advances}, volume = {2}, number = {32}, year = {2012}, month = {OCT}, pages = {12255-12262}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A potentially active hindered amine light stabilizer (HALS) was successfully anchored onto multiwalled carbon nanotubes (MWCNTs) and used as a light-stabilizing yet reinforcing multifunctional nanofiller to obtain UV-durable polymer nanocomposites. The influence of such light stabilizing MWCNTs on the photo-oxidation behaviour and structure-properties of polypropylene (PP) was studied. The composites were prepared by solution mixing of MWCNTs followed by melt compounding with polypropylene (PP). The resulting composite exhibits excellent UV-durability showing an almost 20 fold increase in the induction period of photo-oxidation. Moreover, the hydrophobic HALS was found to be compatibilizing enough to achieve homogeneous dispersion of exfoliated nanotubes into a polymer matrix. The rheological characterizations predict the formation of a percolated network structure. The obtained nanocomposites present markedly improved mechanical properties which underline the reinforcing ability of functionalized MWCNTs. Overall combination of HALS and MWCNTs offers an attractive route to combine multifunctionality into new hybrid UV-durable polymer nanocomposites. Such materials may possess great potential for outdoors high performance applications.

}, issn = {2046-2069}, doi = {10.1039/c2ra21583g}, author = {Lonkar, Sunil P. and Kushwaha, Omkar S. and Leuteritz, Andreas and Heinrich, Gert and Singh, R. P.} } @article { ISI:000303774000020, title = {Self-assembled one dimensional functionalized metal-organic nanotubes (MONTs) for proton conduction}, journal = {Chemical Communications}, volume = {48}, number = {44}, year = {2012}, month = {APR}, pages = {5464-5466}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two self-assembled isostructural functionalized metal-organic nanotubes have been synthesized using 5-triazole isophthalic acid (5-TIA) with In(III) and Cd(II). In-and Cd-5TIA possess one-dimensional (1D) nanotubular architecture and show proton conductivity along regular 1D channels, measured as 5.35 x 10(-5) and 3.61 x 10(-3) S cm(-1) respectively.

}, issn = {1359-7345}, doi = {10.1039/c2cc31527k}, author = {Panda, Tamas and Kundu, Tanay and Banerjee, Rahul} } @proceedings {43270, title = {Self{\textendash}assembled histidine acid phosphate nanocapsules as templates for multifunctional hollow platinum nanospheres in ionic liquid [BMIM][BF 4 ] for drug delivery}, year = {2012}, month = {JAN}, abstract = {

During the past few decades, the design and fabrication of nano drug delivery vehicle has received considerable attention for incorporating multi-functionality, emphasizing transportation of anticancer drugs to tumour sites. Protein-based nanoparticles hold significant promise in the development of anticancer drug delivery systems since they have remarkable superiority in biocompatibility, biodegradability and natural metabolism in physiologic systems. Ionic liquids (ILs) are a class of solvents that are composed solely of ions (ILs {\textendash} commonly referred as room temperature molten salts or room temperature ionic liquids). They have recently emerged as green solvents or green reaction media, because of their reported unique physico-chemical properties. We report for the first time the controlled self-assembly of Histidine Acid phosphatase (HAP) enzyme in the IL 1-butyl-3-methylimidazolium tetrafluoroborate [BMIM][BF 4 ], leading to the formation of HAP nanocapsules as template for synthesis of platinum nanospheres. These HAP nano-containers were loaded with an anticancer drug curcumin. We further demonstrated in vitro drug release and synergistic anticancer effect of these systems on three different cell lines viz. hepatocellular carcinoma (HepG2), breast cancer (MCF-7) and human acute monocytes (THP-1). The present work can extend our theoretical understanding on nano-bio interfacial molecular self assembly and will facilitate the motivated insights of inorganic/organic hybrid nano-materials/ nano-particles/ nano-objects and ionic liquids based multi functional drug delivery vehicles with synergistic combination chemotherapy for potential application in tumor targeting. INTRODUCTION During the past few decades, the design and fabrication of drug delivery vehicle has received considerable attention for incorporating multi-functionality emphasizing transportation of anticancer drugs to tumour sites. These nano drug delivery vehicles have many advantages including prolonged circulation time of the drugs (Duncan, 2003, Kiick, 2007) , improved drug targeting and solubility (Duncan, 2003, Kiick, 2007), higher payloads (Duncan, 2003) and controlled release of the therapeutics into the blood stream or the targeted tumour tissues (Uhrich et al. 1999, Duncan, 2003).

}, author = {Soni, Sarvesh Kumar and Sarkar, Sampa and Sarkar, Dhiman and Coloe, Peter J. and Bhargava, Suresh Kumar and Bansal, Vipul} } @article {42510, title = {Sequential energy and electron transfer in polynuclear complex sensitized TiO2 nanoparticles}, journal = {Journal of Physical Chemistry Letters}, volume = {3}, year = {2012}, month = {MAY}, pages = {1543{\textendash}1548}, abstract = {

Polynuclear{\textendash}polypyridyl complexes exhibit a directional energy-transfer property that can improve their photosensitization activity. In the present work, the energy-transfer process is explored in a trinuclear Ru2∧Os1 complex using transient absorption spectroscopy. This study reveals an efficient excitation energy transfer from the terminal (RuII complex) to the core (OsII complex) region in the ultrafast time domain (400 fs{\textendash}40 ps). The excitation energy funnel is useful in improving the functionalized core activity. This is evidenced in an interfacial electron-transfer study of Ru2∧Os1, Ru2∧Ru1, and Os1 complex sensitized TiO2 nanoparticle (TiO2 NP) systems. The intramolecular energy transfer causes sequential excitation of the core part of the Ru2∧Os1 complex, which leads to multiexponential electron injection into TiO2 NP. Besides this, the electronic coupling between the metal ion centers stabilizes the positive charge within the trinuclear complex, which results in a slow charge recombination reaction. This study shows that polynuclear complexes can be very useful for their panchromatic effects, unidirectional energy- and electron-transfer properties.

}, doi = {10.1021/jz3005305}, author = {Verma, Sandeep and Kar, Prasenjit and Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000309462100003, title = {SHI irradiation induced effects in functionalized MWCNTs}, journal = {Radiation Effects and Defects in Solids}, volume = {167}, number = {8, SI}, year = {2012}, month = {FEB}, pages = {569-576}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Multi-walled carbon nanotubes (MWCNTs) have attracted extensive attention globally due to their applications in modern nanotechnology. It is very important to study the effects on these MWCNTs under swift heavy ion (SHI) irradiation since ion irradiation has been recognized as one of the best tools for nanostructuring of materials, in general. Here, we present the effects of 80MeV Ni ions with a fluence ranging from 3 x 10(12) to 3 x 10(13) ions/cm(2) on functionalized MWCNT mats. The properties of pristine and irradiated samples were studied using X-ray diffraction, Raman spectroscopy and transmission electron microscopy. The effects of SHI irradiation on these samples are discussed in detail.

}, keywords = {CNT, Raman, SHI, TEM}, issn = {1042-0150}, doi = {10.1080/10420150.2012.660939}, author = {Saikiran, V. and Pathak, A. P. and Rao, N. Srinivasa and Devaraju, G. and Debgupta, Joyashish and Kyriakou, I. and Emfietzoglou, D.} } @article { ISI:000315172400021, title = {Significant enhancement of formic acid oxidation using rhodium nanostructures}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {12}, number = {12}, year = {2012}, month = {DEC}, pages = {8994-8998}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

The electrocatalytic activity of as-synthesized shape selective Rh nanostructures has been demonstrated using cyclic voltammetry, revealing unique shape-dependant performance towards HCOOH oxidation. interestingly, the enhancement factor (R) for different shapes of Rh with respect to that of commercial Rh towards formic acid oxidation ranges up to 20,000\% for cubes as compared to 17,500\% for pyramids and 11,000\% for hexagons respectively. Mechanistic pathway for comparatively better sensitivity of cubes as compared to other shapes has been correlated with the results of X-ray diffraction.

}, keywords = {electrocatalysis, Formic Acid Oxidation, Preferential Growth, Rhodium Nanostructures}, issn = {1533-4880}, doi = {10.1166/jnn.2012.6735}, author = {Balan, Beena K. and Sathe, Bhaskar R.} } @article { ISI:000305965100013, title = {Simple method for incorporating dynamic effects of intronic miRNA mediated regulation}, journal = {Molecular Biosystems}, volume = {8}, number = {8}, year = {2012}, month = {APR}, pages = {2145-2152}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The importance of microRNA (miRNA) in modulating gene expression at the post-transcriptional level is well known. Such regulation has been shown to influence the dynamics of several regulatory networks including the cell cycle. In this study we incorporated regulatory effects of intronic miRNA into an existing mathematical model of the cell cycle through the use of an existing {\textquoteleft}proxy{\textquoteright} protein - the host protein. It was observed that the incorporation of intronic miRNA mediated regulation improved the performance of the model resulting in a closer match to experimental results. To test the universality of this approach we compared the effects of intronic miRNA mediated regulation and host protein mediated regulation. Further, we compared miRNA mediated and protein mediated positive and negative feedback regulations of the target protein. We found that the target protein profiles were predominantly similar. These observations show the applicability of our method for incorporating intronic miRNA mediated dynamic effects in models for regulation of gene expression.

}, issn = {1742-206X}, doi = {10.1039/c2mb25046b}, author = {Gokhale, Sucheta A. and Hariharan, Manoj and Brahmachari, Samir K. and Gadgil, Chetan J.} } @article { ISI:000311350000013, title = {Simple one pot synthesis of nano gold-mesoporous silica and its oxidation catalysis}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {92-97}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple one pot synthesis strategy using a non ionic triblock copolymer P123 as reducing as well as templating agent has been employed to prepare nano gold particles incorporated in the pores of mesoporous silica catalyst. The catalyst is characterized by XRD, nitrogen adsorption desorption isotherms at 77 K and TEM. The presence of small gold nanopartilces (similar to 2-4 nm) clearly demonstrated that this strategy can be effective in incorporating Au inside mesochannels. The catalyst reduced at 300 degrees C in H-2 was found to be active for oxidation reactions, such as CO oxidation, and benzyl alcohol. (C) 2012 Elsevier B. V. All rights reserved.

}, keywords = {Alcohol oxidation, CO oxidation, Gold catalysis, Mesoporous silica}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.05.053}, author = {Sekhar, A. C. Sunil and Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S. and Vinod, C. P.} } @article { ISI:000301406900030, title = {Simulation of settling of solid particles due to sudden impeller stoppage}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {10}, year = {2012}, month = {MAR}, pages = {4112-4118}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Stirred tank reactors (STRs), which are used in process industries (for a variety of operations, such as catalytic reactions, dissolution of a solid, crystallization, and so on), often involve handling of solid liquid (gas) systems. The solid suspension and the quality of the suspension are key issues in the design and operation of such stirred reactors. Despite extensive experimental work over previous decades, comprehensive understanding and reliable methods to predict the solids suspension and the quality of the suspension are not yet available. Advances in computational fluid dynamics (CFD) and new experimental techniques offer potentially effective ways of understanding solids suspension in stirred tanks. The present work highlights the potential of using transient measurements by way of the dynamic settling of solid particles because of the sudden stoppage of an impeller to evaluate CFD models. Sudden impeller stoppage results in significantly different conditions, in terms of the ratio of particle diameter to Kolomogorov length scale (d(p)/lambda), as well as the solids volume fraction experienced by solid particles. Therefore, experimental data under such sudden impeller stoppage offer a better way to evaluate the influence of prevailing turbulence and solids volume fraction on effective drag and therefore offer a more-stringent test to CFD models than steady-state profiles. Besides facilitating the development of computational models, the experimental and simulation studies of sudden impeller stoppage also provide useful data to gain insight into the behavior of the stirred tank after abrupt impeller stoppage due to sudden power failure.

}, issn = {0888-5885}, doi = {10.1021/ie2028987}, author = {Sardeshpande, Madhavi V. and Ranade, Vivek V.} } @article { ISI:000309139400020, title = {Simultaneous glycerol dehydration and in situ hydrogenolysis over Cu-Al oxide under an inert atmosphere}, journal = {Green Chemistry}, volume = {14}, number = {10}, year = {2012}, month = {JUL}, pages = {2780-2789}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Among various catalysts screened, the Cu-Al oxide catalyst, prepared by a co-precipitation method, exhibited excellent activity for simultaneous glycerol dehydration and its hydrogenolysis without external hydrogen. Detailed characterization by XRD, XPS, HR-TEM, TPR, etc., showed evidence of Cu2+ in the form of CuO and CuAl2O4, along with Cu-0 and Cu1+ species, which are responsible for their multifunctional roles in glycerol APR, dehydration and hydrogenolysis reactions under inert conditions. This catalyst also presented consistent activity for a duration of 400 h for autogeneous hydrogenolysis of refined glycerol with 36\% selectivity to 1,2-propanediol (1,2-PDO). Manipulating the temperature and feed flow rate conditions, meant that the selectivity to acetol and 1,2-PDO could be tailored as desired. Substantial enhancement in 1,2-PDO selectivity (75\%) was achieved for an aqueous bio-glycerol feed over the same catalyst for 50 h of testing.

}, issn = {1463-9262}, doi = {10.1039/c2gc35661a}, author = {Mane, Rasika B. and Rode, Chandrashekhar V.} } @article {UGC-New Delhi}, title = {Single crystal X-ray structure of lawsone anion: evidence for coordination of alkali metal ions and formation of naphthosemiquinone radical in basic media}, journal = {Journal of Molecular Structure}, volume = {1010}, number = {3-4}, year = {2012}, month = {FEB}, pages = {38-45}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

2-hydroxy-1,4-naphthoquinone; Lawsone (Lw) is a natural compound found in henna leaves. The reaction of lawsone with {\textquoteleft}Na{\textquoteright} metal (Lw-1), CH3COONa (Lw-2), NaOH (Lw-3), KOH (Lw-4), K2CO3 (Lw-5) and Tris(hydroxymethyl)aminomethane (Lw-6) were studied. Red orange solids obtained for Lw-1 to Lw-6 are characterized by Elemental Analysis, FTIR, (HNMR)-H-1 and EPR studies. The results reveal the coordination of alkali metals {\textquoteleft}Na{\textquoteright} and {\textquoteleft}K{\textquoteright} to lawsone anion. The single crystal X-ray structure of Lw-6 was solved and it crystallizes in triclinic space group P-1 with extensive hydrogen bonding network of C-H center dot center dot center dot O, N-H center dot center dot center dot O and O-H center dot center dot center dot O between cations and anions. Polycrystalline powder X-band EPR spectra of Lw-1 to Lw-5 shows signals similar to 2.004 at 133 K, while Lw-6 is EPR silent. The naphthosemiquinone (NSQ) radical formed in Lw-2 to Lw-5, is due to disproportion reaction of catechol and naphthoquinone. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {2-Hydroxy-1, 4-naphthoquione, EPR, hydrogen bonding, Lawsone, Naphthosemiquinone radicals}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2011.11.015}, author = {Salunke-Gawali, Sunita and Kathawate, Laxmi and Shinde, Yogesh and Puranik, Vedavati G. and Weyhermueller, Thomas} } @article {42551, title = {Size-controlled flow synthesis of gold nanoparticles using a segmented flow microfluidic platform}, journal = {Langmuir}, volume = {28}, year = {2012}, month = {MAY}, pages = {7007-7013}, abstract = {

Segmented flow is often used in the synthesis of nanomaterials to achieve narrow particle size distribution. The narrowness of the distribution is commonly attributed to the reduced dispersion associated with segmented flows. On the basis of the analysis of flow fields and the resulting particle size distribution, we demonstrate that it is the slip velocity between the two fluids and internal mixing in the continuous-phase slugs that govern the nature of the particle size distribution. The reduction in the axial dispersion has less impact on particle growth and hence on the particle size distribution. Synthesis of gold nanoparticles from HAuCl4 with rapid reduction by NaBH4 serves as a model system. Rapid reduction yields gold nuclei, which grow by agglomeration, and it is controlled by the interaction of the nuclei with local flow. Thus, the difference in the physical properties of the two phases and the inlet flow rates ultimately control the particle growth. Hence, a careful choice of continuous and dispersed phases is necessary to control the nanoparticle size and size distribution.

}, doi = {10.1021/la205131e}, author = {Cabeza, Victor Sebastian and Kuhn, Simon and Kulkarni, Amol A. and Jensen, Klavs F.} } @article { ISI:000306038600023, title = {Slow-tight binding inhibition of pepsin by an aspartic protease inhibitor from streptomyces sp MBR04}, journal = {International Journal of Biological Macromolecules}, volume = {51}, number = {1-2}, year = {2012}, month = {JUL}, pages = {165-174}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The present article reports a low molecular weight aspartic protease inhibitor from a Streptomyces sp. MBR04 exhibiting a two-step inhibition mechanism against pepsin. The kinetic interactions revealed a reversible, competitive, slow-tight binding inhibition with an IC50 and K-i values of 4.5 nM and 4 nM respectively. The conformational changes induced upon inhibitor binding to pepsin was monitored by far and near UV analysis, demonstrated that the inhibitor binds to the active site and causes inactivation. Chemical modification of the inhibitor with WRK and TNBS abolished the antiproteolytic activity of the inhibitor. (c) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Aspartic protease inhibitor, Low molecular weight, Slow-tight binding inhibition}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2012.04.002}, author = {Menon, Vishnu and Rao, Mala} } @article {42726, title = {Smart wireless temperature monitor \& control system}, journal = {UACEE International Journal of Computer Science and its Application}, volume = {2}, year = {2012}, month = {DEC}, pages = {56-60}, doi = {10.3850/ 978-981-07-2950-9_687}, author = {Patil, Rohit and Joshi, Dnyanesh and More, Rahul and Iyer, Neelima} } @article { ISI:000299332500004, title = {Sodium-doped lithium zirconate nano squares: synthesis, characterization and applications for CO2 sequestration}, journal = {Journal of Sol-Gel Science and Technology}, volume = {61}, number = {2}, year = {2012}, month = {FEB}, pages = {316-320}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Nano squares of sodium-doped lithium zirconate have been synthesized by a simple citrate based sol-gel method at room temperature in the presence of cetyl trimethylammonium bromide (CTAB) as a surfactant. The structural and morphological properties were investigated by X-ray diffraction (XRD) and Transmission Electron Microscopy (TEM) respectively. XRD analysis of sample calcined at 900 A degrees C for 4 h shows the formation of monoclinic lithium zirconate phase. The TEM shows the interesting morphology of formation of nano squares of sodium doped lithium zirconate sample. The carbon dioxide sorption capacity was carried out by TGA analysis at different high temperatures. It is observed that the sample shows similar to 20 wt\% carbon dioxide sorption at higher temperature (650 A degrees C) within 20 min which are better than the known reports.

}, keywords = {Carbon dioxide, CTAB, Lithium zirconate, Sodium doped lithium zirconate, sol-gel, TEM, XRD}, issn = {0928-0707}, doi = {10.1007/s10971-011-2629-y}, author = {Khokhani, Mrinal and Khomane, Ramdas B. and Kulkarni, Bhaskar D.} } @article { ISI:000298726300004, title = {Solid phase morphological diversity of a rare vanadium cubane (V4O16) based metal organic framework}, journal = {Crystal Growth \& Design}, volume = {12}, number = {1}, year = {2012}, month = {JAN}, pages = {12-17}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A Cu(II) connected V4O16-cubane based metal organic framework, Cu-2(phen)(2)(V4O8) (PO4)(4) [Cu2V4O16-2D] was synthesized under hydrothermal conditions. This is the first example of transition metal connected V4O16-cubane based MOF. X-ray single crystal data shows the alternate arrangement V4O16-cubane and Cu(phen)(O)(3) square pyramidal unit in two dimensions. These two-dimensional sheets are stacked on top of each other to form a three-dimensional architecture. Cu2V4O16-2D shows two types of solid state morphologies of the same phase, which was confirmed by scanning electron microscopy. It is noteworthy that this type of morphological difference of the solid phase in an extended metal organic hybrid material is rare and has not been perceived in the polyoxovanadate based MOFs literature. Cu2V4O16-2D was further characterized by powder X-ray diffraction (PXRD), thermal gravimetric analysis (TGA), IR-spectroscopy, scanning electron microscopy (SEM), and elemental analysis. We also studied the static magnetic and gas adsorption properties for Cu2V4O16-2D.

}, issn = {1528-7483}, doi = {10.1021/cg201030u}, author = {Dey, Chandan and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000303366000056, title = {Solid-state thermolysis of anion induced metal-organic frameworks to ZnO microparticles with predefined morphologies: facile synthesis and solar cell studies}, journal = {Crystal Growth \& Design}, volume = {12}, number = {5}, year = {2012}, month = {MAY}, pages = {2572-2578}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Simple one-step solid state thermolysis of two Zn-based homochiral metal organic frameworks (MOFs) leads to a dramatic difference in morphologies which depends on the anion (-Cl and -Br) and calcination environment (air and N-2). Rod-shaped (aspect ratio similar to 20), hexagonal column shaped (aspect ratio similar to 3), and elliptical aggregation of ZnO morphologies (aspect ratio similar to 3) are obtained and characterized. Although these two MOFs possess similar rod-shaped morphology, they produce dramatic change in resulting ZnO microparticle morphologies (from rod-shaped ZnO microparticles in the case of thermolysis of MOP 1 to hexagonal column shaped ZnO microparticles in the case of MOF 2 thermolysis) when calcined in N-2 at 800 degrees C. However, when we calcined both MOF 1 and 2 in air, we encountered similar elliptical aggregation of ZnO microparticles. These ZnO microparticles show permanent porosity, visible light emission centered at 605 or 510 nm. Moreover, they show 0.15\% and 0.14\% dye sensitized solar cell activity. To the best of our knowledge, this is the first report of dye sensitized solar cell activity of ZnO microparticles obtained from one-step thermolysis of porous homochiral MOFs.

}, issn = {1528-7483}, doi = {10.1021/cg300174f}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Banerjee, Rahul} } @article { ISI:000311284900014, title = {Solution mediated phase transformation (RHO to SOD) in porous Co-imidazolate based zeolitic frameworks with high water stability}, journal = {Chemical Communications}, volume = {48}, number = {97}, year = {2012}, month = {OCT}, pages = {11868-11870}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Here we report a highly porous, water stable Co based ZIF [CoNIm (RHO)] and its solution mediated phase transformation to a less porous and water unstable ZIF [CoNIm (SOD)]. CoNIm (RHO) has high Langmuir surface area [2087 m(2) g(-1)] as well as high water adsorption [200 cm(3) (STP) g(-1)] capacity.

}, issn = {1359-7345}, doi = {10.1039/c2cc36651g}, author = {Biswal, Bishnu P. and Panda, Tamas and Banerjee, Rahul} } @article {42575, title = {Solution-processed inorganic bulk nano-heterojunctions and their application to solar cells}, journal = {Nature Photonics}, volume = {6}, year = {2012}, month = {JUL}, pages = {529{\textendash}534}, abstract = {

In the last decade, solution-processed quantum dot/nanocrystal solar cells have emerged as a very promising technology for third-generation thin-film photovoltaics because of their low cost and high energy-harnessing potential. Quantum dot solar cell architectures developed to date have relied on the use of bulk-like thin films of colloidal quantum dots. Here, we introduce the bulk nano-heterojunction concept for inorganic solution-processed semiconductors. This platform can be readily implemented by mixing different semiconductor nanocrystals in solution and allows for the development of optoelectronic nanocomposite materials with tailored optoelectronic properties. We present bulk nano-heterojunction solar cells based on n-type Bi2S3 nanocrystals and p-type PbS quantum dots, which demonstrate a more than a threefold improvement in device performance compared to their bilayer analogue, as a result of suppressed recombination.

}, doi = {10.1038/nphoton.2012.139}, author = {Rath, Arup Kumar and Bernechea, Maria and Martinez, Luis and Pelayo Garcia de Arquer, F. and Osmond, Johann and Konstantatos, Gerasimos} } @article { ISI:000300045200031, title = {Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C-H center dot center dot center dot O interactions}, journal = {CrystEngComm}, volume = {14}, number = {5}, year = {2012}, month = {DEC}, pages = {1716-1722}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The title compound produced three different types of solvent inclusion crystals having a conserved dimeric association via trifurcated C-H center dot center dot center dot O interactions between the diastereomers. These {\textquoteleft}dimeric{\textquoteright} units are organized differently to produce three crystal types containing guest molecules. In type I and II, unit translated dimers created voids for guest inclusion, whereas in type III the guest sites were produced by helical association of dimers. Inclusion of dichloromethane gave two different types of crystals; however, we were unable to obtain unsolvated crystals of the title compound.

}, issn = {1466-8033}, doi = {10.1039/c2ce06287a}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Shashidhar, Mysore S. and Bhadbhade, Mohan M.} } @article { ISI:000296933200001, title = {Solvent-free coumarin synthesis via pechmann reaction using solid catalysts}, journal = {Microporous and Mesoporous Materials}, volume = {149}, number = {1}, year = {2012}, month = {FEB}, pages = {1-9}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A solvent-free versatile and efficient methodology, reported here, allows the synthesis of coumarin by hydroxyalkylation of phenols with ethyl or methyl acetoacetate (via Pechmann reaction) using trifluoromethanesulfonic acid (trifle acid) functionalised Zr-TMS (Zr-TMS, zirconia based transition metal oxide mesoporous molecular sieves) catalysts with different loadings of triflic acid over Zr-TMS (5-25 wt.\%) where the total acid strength of acid functionalised Zr-TMS material is increased as increasing loading of triflic acid from 5 to 25 wt.\% leading to correspond increased higher catalytic activity. (C) 2011 Elsevier Inc. All rights reserved.

}, keywords = {Coumarin, Ethyl acetoacetate, Functionalization, Pechmann reaction, Resorcinol, Zr-TMS}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2011.08.004}, author = {Kalita, Pranjal and Kumar, Rajiv} } @article { ISI:000302535600002, title = {Solvent-free one-pot synthesis of sulfonephthaleins from saccharin and phenols}, journal = {Synthetic Communications}, volume = {42}, number = {8}, year = {2012}, month = {OCT}, pages = {1101-1107}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Sulfonephthaleins can be synthesized in a single pot from saccharin and phenol via the in situ formation of 2-sulfobenzoic anhydride, followed by its reaction with phenol using H2SO4 as the condensing agent, in the absence of any solvent. This solvent-free synthesis is more economical and environmentally benign.

}, keywords = {H2SO4, Phenols, saccharin, sulfonephthalein}, issn = {0039-7911}, doi = {10.1080/00397911.2010.535946}, author = {Tillu, V. H. and Dumbre, Deepa K. and Borate, Hanumant B. and Wakharkar, R. D. and Choudhary, Vasant R.} } @article { ISI:000308345800010, title = {Solvent-free oxidation of aldehydes to acids by TBHP using environmental-friendly -exchanged Mg-Al hydrotalcite catalyst}, journal = {Journal of Chemical Sciences}, volume = {124}, number = {4}, year = {2012}, month = {JUL}, pages = {835-839}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A number of hydrotalcite (Mg-Al, Mn-Al, Co-Al, Ni-Al, Mg-Fe, Mg-Cr and Cu-Al) catalysts, with or without MnO-exchange, were evaluated for their performance in the solvent-free oxidation of benzaldehyde to benzoic acid by tert-butyl hydroperoxide under reflux in the absence of any solvent. The MnO-exchanged Mg-Al-hydrotalcite (Mg/Al = 10) showed high activity in the oxidation of different aromatic and aliphatic aldehydes to their corresponding acids and also showed excellent reusability in the oxidation process which is environmental-friendly.

}, keywords = {acid, Aldehyde, MnO4-1-exchanged Mg-Al-hydrotalcite catalyst, Oxidation, TBHP}, issn = {0974-3626}, doi = {10.1007/s12039-012-0268-7}, author = {Choudhary, Vasant R. and Dumbre, Deepa K. and Narkhede, Vijay S.} } @article { ISI:000305039700151, title = {Sono-chemical synthesis of ZnO nano-particles and their application in hydrogen sulphide gas sensing}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {12}, number = {3}, year = {2012}, month = {MAR}, pages = {2791-2796}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Herein we describe synthesis of ZnO nanoparticles by using alkaline solution of ZnX2 (X = NO3, Cl) under ultrasound energy of 20 KHz. The reaction can be completed in about 1-2 hours. As prepared powders were analyzed by XRD measurement to find that the product is hexagonal phase pure ZnO. UV-Visible measurement of aq. solution showed absorption band at similar to 365 nm and photoluminescence (PL) indicated multiple bands in visible region due to deep traps owing to high temperature sintering. The hydrophilicity can be imparted by use of a suitable polyelectrolyte. Freshly prepared samples showed good dispersion in aqueous and alcoholic medium. The thick films derived from the ZnO nano-particles showed excellent sensing for hydrogen sulphide gas.

}, keywords = {Gas-Sensing, Sono-Chemical, synthesis, ZnO Nano-Particles}, issn = {1533-4880}, doi = {10.1166/jnn.2012.5732}, author = {Khanna, P. K. and Kate, Kunal and Dhanabalan, K. and Banerjee, Shaibal and Reji, Nedunnkandathil and Shinde, S. D. and Jain, G. H.} } @article { ISI:000298827600079, title = {Sonogashira coupling reactions of bromomaleimides: route to alkyne/cis-Alkene/Alkyl maleimides: synthesis of luffarin X and cacospongionolide C}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {1}, year = {2012}, month = {JAN}, pages = {739-746}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Palladium-catalyzed Sonogashira coupling reaction of bromomaleimides with a diverse range of terminal alkynes has been demonstrated to furnish the corresponding alkynylmaleimides in very good yields. This coupling reaction followed by selective reduction of the triple bond to single bond have been utilized as the decisive steps to accomplish the first total synthesis of natural products (+/-)-luffarin X and (+/-)-cacospongionolide C.

}, issn = {0022-3263}, doi = {10.1021/jo2021218}, author = {Deore, Prashant S. and N. P. Argade} } @article { ISI:000311350000002, title = {Special Issue dedicated to Paul Ratnasamy on the occasion of his 70th birthday preface}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {1-2}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.10.011}, author = {Reddy, Benjaram M. and Sivasanker, S. and Ramaswamy, A. V.} } @article { ISI:000305742400008, title = {Stereoselective construction of 5,11-methanomorphanthridine and 5,10b-phenanthridine structural frameworks: total syntheses of (+/-)-pancracine, (+/-)-brunsvigine, (+/-)-maritidine, and (+/-)-crinine}, journal = {Pure and Applied Chemistry}, volume = {84}, number = {7}, year = {2012}, note = {23rd International Congress on Heterocyclic Chemistry (ICHC), Glasgow, SCOTLAND, JUL 31-AUG 04, 2011}, month = {MAY}, pages = {1597-1619}, publisher = {Virginia Taylor; Astra Zeneca; Chem Sci Scotland; Eisai; EPSRC; Glasgow City Council; GSK; IUPAC; Pfizer; Scottish Enterprise; Syngenta; Univ Strathclyde}, type = {Article}, address = {104 TW ALEXANDER DR, PO BOX 13757, RES TRIANGLE PK, NC 27709-3757 USA}, abstract = {

The core structure of the complex pentacyclic 5,11-methanomorphanthridine skeleton and the vicinal quaternary and tertiary stereocenters of the 5,10b-phenanthridine skeleton are constructed stereospecifically in one step employing intramolecular 1,3-dipolar cyclo addition of a nonstabilized azomethine ylide (AMY) generated by the sequential double desilylation of appropriate bis-trimethylsilylmethyl amines using Ag(I)F as a single-electron oxidant. The strategy is successfully applied for the total synthesis of biologically active alkaloids such as (+/-)-pancracine, (+/-)-brunsvigine, (+/-)-maritidine, and (+/-)-crinine.

}, keywords = {alkaloid synthesis, cycloadditions, organic synthesis, stereocontrolled synthesis}, issn = {0033-4545}, doi = {10.1351/PAC-CON-11-10-12}, author = {Pandey, Ganesh and Gadre, Smita R.} } @article { ISI:000310947900008, title = {Stereospecific synthesis of C-arabinofuranosides and carba-disaccharide analogues of Motif C of cell wall AG complex of Mtb}, journal = {Tetrahedron Letters}, volume = {53}, number = {47}, year = {2012}, month = {NOV}, pages = {6347-6350}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple strategy for the synthesis of alpha- and beta-C-arabinofuranosides featuring a furan ring transposition reaction has been developed. A novel double furan ring transposition reaction has proposed and executed for the synthesis of the carba-disaccharide analogue of Motif C of the cell wall AG complex of Mtb. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Arabinose, C-Glycosides, Carba-disaccharide, Cell wall AG complex, Ring transposition}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.09.015}, author = {Patil, Rahul S. and Ahire, Ketan M. and Ramana, C. V.} } @article { ISI:000298839400032, title = {Strength from weakness: the role of CH center dot center dot center dot N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles}, journal = {Crystengcomm}, volume = {14}, number = {2}, year = {2012}, month = {OCT}, pages = {519-524}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Crystal engineering has succeeded in the design and construction of various architectures such as tapes, ribbons, rosettes, layers etc. Though wavy layer packing is known to occur in crystals, no crystal engineering attempts have been ventured to create wavy layer topology in crystals. Aromatic nitrogen heterocyclics (ANHs) are known to preferentially self assemble in lateral fashion through edge-to-edge CH center dot center dot center dot N hydrogen bonds. Exploiting this preferential lateral assembly of ANHs, we have engineered wavy layer architectures in the crystals of various substituted quinolines.

}, issn = {1466-8033}, doi = {10.1039/c1ce05997a}, author = {Shivakumar, Kota and Vidyasagar, Adiyala and Naidu, Andra and Gonnade, Rajesh G. and Sureshan, Kana M.} } @article { ISI:000311804700002, title = {Stress inducible proteinase inhibitor diversity in capsicum annuum}, journal = {BMC Plant Biology}, volume = {12}, year = {2012}, month = {NOV}, pages = {217}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: Wound-inducible Pin-II Proteinase inhibitors (PIs) are one of the important plant serine PIs which have been studied extensively for their structural and functional diversity and relevance in plant defense against insect pests. To explore the functional specialization of an array of Capsicum annuum (L.) proteinase inhibitor (CanPIs) genes, we studied their expression, processing and tissue-specific distribution under steady-state and induced conditions. Inductions were performed by subjecting C. annuum leaves to various treatments, namely aphid infestation or mechanical wounding followed by treatment with either oral secretion (OS) of Helicoverpa armigera or water. Results: The elicitation treatments regulated the accumulation of CanPIs corresponding to 4-, 3-, and 2-inhibitory repeat domains (IRDs). Fourty seven different CanPI genes composed of 28 unique IRDs were identified in total along with those reported earlier. The CanPI gene pool either from uninduced or induced leaves was dominated by 3-IRD PIs and trypsin inhibitory domains. Also a major contribution by 4-IRD CanPI genes possessing trypsin and chymotrypsin inhibitor domains was specifically revealed in wounded leaves treated with OS. Wounding displayed the highest number of unique CanPIs while wounding with OS treatment resulted in the high accumulation of specifically CanPI-4, -7 and -10. Characterization of the PI protein activity through two dimensional gel electrophoresis revealed tissue and induction specific patterns. Consistent with transcript abundance, wound plus OS or water treated C. annuum leaves exhibited significantly higher PI activity and isoform diversity contributed by 3- and 4-IRD CanPIs. CanPI accumulation and activity was weakly elicited by aphid infestation yet resulted in the higher expression of CanPI-26, -41 and -43. Conclusions: Plants can differentially perceive various kinds of insect attacks and respond appropriately through activating plant defenses including regulation of PIs at transcriptional and post-translational levels. Based on the differentially elicited CanPI accumulation patterns, it is intriguing to speculate that generating sequence diversity in the form of multi-IRD PIs is a part of elaborative plant defense strategy to obtain a diverse pool of functional units to confine insect attack.

}, keywords = {CanPI, Herbivory, Oral secretions, Pin-II type proteinase inhibitors, Plant-insect interaction}, issn = {1471-2229}, doi = {10.1186/1471-2229-12-217}, author = {Mishra, Manasi and Mahajan, Neha S. and Tamhane, Vaijayanti A. and Kulkarni, Mahesh J. and Baldwin, Ian T. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000309885500028, title = {Strong metal-metal coupling in mixed-valent intermediates [Cl(L)Ru(mu-tppz)Ru(L)Cl](+), L = beta-diketonato ligands, tppz=2,3,5,6-tetrakis(2-pyridyl)pyrazine}, journal = {Dalton Transactions}, volume = {41}, number = {43}, year = {2012}, month = {SEP}, pages = {13429-13440}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Five diruthenium(II) complexes [Cl(L)Ru(mu-tppz)Ru(L)Cl](1-5) containing differently substituted beta-diketonato derivatives (1: L = 2,4-pentanedionato; 2: L = 3,5-heptanedionato; 3: L = 2,2,6,6-tetramethyl-3,5-heptanedionato; 4: L = 3-methyl-2,4-pentanedionato; 5: L = 3-ethyl-2,4-pentanedionato) as ancillary ligands (L) were synthesized and studied by spectroelectrochemistry (UV-Vis-NIR, electron paramagnetic resonance (EPR)). X-ray structural characterisation revealed anti (1, 2, 5) or syn (3) configuration as well as non-planarity of the bis-tridentate tppz bridge and strong d pi(Ru-II) -\> pi*(pyrazine, tppz) back-bonding. The widely separated one-electron oxidation steps, (RuRuII)-Ru-II/(RuRuIII)-Ru-II and (RuRuIII)-Ru-II/(RuRuIII)-Ru-III, result in large comproportionation constants (K-c) of \>= 10(10) for the mixed-valent intermediates. The syn-configurated 3(n) exhibits a particularly high K-c of 10(12) for n = 1+, accompanied by density functional theory (DFT)-calculated minimum Ru-N bond lengths for this (RuRuIII)-Ru-II intermediate. The electrogenerated mixed-valent states 1(+)-5(+) exhibit anisotropic EPR spectra at 110 K with average values \< g \> of 2.304-2.234 and g anisotropies Delta g = g(1)-g(3) of 0.82-0.99. Metal-to-metal charge transfer (MMCT) absorptions occur for 1(+)-5(+) in the NIR region at 1660 nm-1750 nm (epsilon approximate to 2700 dm(3) mol(-1) cm(-1), Delta nu(1/2) approximate to 1800 cm(-1)). DFT calculations of 1(+) and 3(+) yield comparable Mulliken spin densities of about 0.60 for the metal ions, corresponding to valence-delocalised situations (Ru-2.5)(2). Rather large spin densities of about -0.4 were calculated for the tppz bridges in 1(+) and 3(+). The calculated electronic interaction values (V-AB) for 1(+)-5(+) are about 3000 cm(-1), comparable to that for the Creutz-Taube ion at 3185 cm(-1). The DFT calculations predict that the (RuRuIII)-Ru-III forms in 12(+)-52(+) prefer a triplet (S = 1) ground state with Delta E (S = 0 - S = 1) similar to 5000 cm(-1). One-electron reduction takes place at the tppz bridge which results in species [Cl(L)Ru-II(mu-tppz(.-)) Ru-II(L)Cl](-) (1(.-)-3(.-), 5(.-)) which exhibit free radical-type EPR signals and NIR transitions typical of the tppz radical anion. The system 4(n) is distinguished by lability of the Ru-Cl bonds.

}, issn = {1477-9226}, doi = {10.1039/c2dt31763j}, author = {Kundu, Tanaya and Schweinfurth, David and Sarkar, Biprajit and Mondal, Tapan Kumar and Fiedler, Jan and Mobin, Shaikh M. and Puranik, Vedavati G. and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @article { ISI:000302817400015, title = {Structural and surface morphological properties of chemically deposited Mo0.5W0.5S2 thin film}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {23}, number = {4}, year = {2012}, month = {APR}, pages = {909-912}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Preparation of layered type semiconductor Mo0.5W0.5S2- thin films has been successfully done by using chemical bath deposition method. Objective of the studies are related to structural, optical, morphological and electrical properties of the thin films. The preparation method is based on the reaction between tartarate complex of Mo and W with thiourea in an aqueous alkaline medium at 363 K. X-Ray diffraction reveals a polycrystalline film composed of both MoS2 and WS2 phases. The optical study shows that the band gap of the film is 1.6 eV. Electrical conductivity is high which is in the order of 10(-3)-10(-2) (Omega cm)(-1).

}, issn = {0957-4522}, doi = {10.1007/s10854-011-0519-2}, author = {Patil, A. A. and Hankare, P. P. and Gaikwad, A. B. and Garadkar, K. M.} } @article { ISI:000301295900015, title = {Structural determination and chemical esterification of the sophorolipids produced by Candida bombicola grown on glucose and alpha-linolenic acid}, journal = {Biotechnology Letters}, volume = {34}, number = {4}, year = {2012}, month = {APR}, pages = {701-707}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The extracellular surface-active glycolipids produced by the yeast, Candida bombicola when grown on glucose and alpha-linolenic acid, were analyzed by HPLC with electro-spray ionization (ESI-MS) and collision-induced dissociation mass spectrometry. The analysis confirmed that the sophorolipid (SL) mixture contained three different forms of C18:3 SL molecules: free acid, lactone and a diacetylated lactone, which has not been reported previously. Also a minor amount of diacetylated lactone form of C18:1 SL was detected. Further, the SL mixture was subjected to chemical esterification reaction with sodium methoxide. The reaction product was analyzed with ESI-MS and confirmed to be the single homogenous esterified product containing C18:3 moieties in its fatty acid chain.

}, keywords = {Candida bombicola, Collision-induced dissociation mass spectrometry, Electrospray ionization mass spectrometry, HPLC, Linolenic acid, Sophorolipid methyl ester}, issn = {0141-5492}, doi = {10.1007/s10529-011-0818-y}, author = {Gupta, Reetika and Prabhune, Asmita} } @article { ISI:000301509500005, title = {Structural, dynamical, and thermodynamical properties of carbon nanotube polycarbonate composites: a molecular dynamics study}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {10}, year = {2012}, month = {MAR}, pages = {3083-3091}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

All-atom molecular dynamics simulations are performed on pure monomer and trimer of polycarbonate and their mixtures with different molecular weight percentages of embedded single walled carbon nanotubes at different temperatures to study the structural and dynamical properties of the composite system. The diffusion behaviors of monomer, trimer of polycarbonate and carbon nanotubes in composite matrices are investigated and compared with pure matrices in details. Both structural and dynamical properties indicate the weak interaction between the nanotubes and matrix molecules. The high tendency of nanotubes to form bundles is observed during simulation. The bundle formation free energy has been calculated from the potential of mean force calculations. The mechanism and energetics of bundle formation is explored in the atomistic scale. The formation of the carbon nanotube bundle is a favorable process in the oligomeric polycarbonate matrix.

}, issn = {1520-6106}, doi = {10.1021/jp212220m}, author = {Chakraborty, Souvik and Roy, Sudip} } @article { ISI:000306215900061, title = {Structure engineering of naphthalene diimides for improved charge carrier mobility: self-assembly by hydrogen bonding, good or bad?}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {30}, year = {2012}, month = {MAY}, pages = {15235-15246}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two families of naphthalene diimide (NDI) derivatives were compared and contrasted for the effect of self-assembly on charge carrier transport. One series of NDI derivatives had a terminal phenyl ring attached to a hexyl spacer substituted naphthalene core either through an ester or an amide linkage (NDI-E and NDI-A, respectively), while the other series had a 3,4,5-tridodecyloxy phenyl unit (NDI-E3, NDI-A3) instead of the terminal phenyl unit. Solution processed thin films of these molecules exhibited n-type charge transport characteristics in a bottom gate top contact organic field effect transistor (OFET) geometry. The amide derivatives showed evidence of self-organization with observation of red shifted aggregate emission in solution as well as solid state. Variable temperature FTIR studies in the solid state confirmed the existence of strong hydrogen bonding which could be broken only at very high temperature. However, contrary to expectations, the NDI ester derivatives showed better device efficiency with electron mobilities in the range 8.5 x 10(-3) to 2 x 10(-2) cm(2) V-1 s(-1) and on/off ratio similar to 10(4). The thin film crystallinity and morphology of NDI-E and NDI-A were examined through X-ray diffraction and atomic force microscopy (AFM). The correlation of crystallinity, hydrogen bonding and charge carrier mobility was studied using energy minimized structures from density functional theory (DFT). The higher electron mobility of ester linked NDI derivatives over the amide linked ones was attributed to the freedom in charge transport pathways offered by a three dimensional crystalline organization in the ester compared to the restricted directional hydrogen bonding interaction in the amide derivatives.

}, issn = {0959-9428}, doi = {10.1039/c2jm32554c}, author = {Kolhe, Nagesh B. and Devi, R. Nandini and Senanayak, Satyaprasad P. and Jancy, B. and Narayan, K. S. and Asha, S. K.} } @article { ISI:000309645000013, title = {Studies on the resistive response of nickel and cerium doped SnO2 thick films to acetone vapor}, journal = {Ceramics International}, volume = {38}, number = {8}, year = {2012}, month = {DEC}, pages = {6171-6179}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Undoped and Ni, Ce-doped nanocrystalline tin oxide were synthesized by co-precipitation route. Doped as well as undoped SnO2 compositions revealed single phase structure without any impurity. The lattice constant of SnO2 increases and the grain size decreases with doping of Ni and Ce. The responses of the sensing elements are evaluated by measuring the resistance change upon exposure to various test gases such as liquid petroleum gas (LPG), acetone, ethanol and ammonia. In comparison to LPG, ethanol, and ammonia the response towards acetone vapor increases markedly on simultaneous doping of Ni and Ce. For acetone vapors with 500 ppm at 300 degrees C, the undoped SnO2 shows 31\% response, while with individual Ni or Ce doping it increases to 38 and 60\%, respectively, however with simultaneous doping of Ni and Ce there is a significant enhancement up to 92\%. The results of gas sensing measurements reveal that the thick films deposited on alumina substrates using screen printing technique give selectively a high response of (87\%) with fast recovery (similar to 1 min) towards 100 ppm acetone at 300 degrees C. (c) 2012 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {(Ni plus Ce)-doping, Acetone vapor, Screen-printing, SnO2}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2012.04.068}, author = {Bagal, L. K. and Patil, J. Y. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000312564500027, title = {Studies toward the synthesis of potent anti-inflammatory peptides solomonamides A and B: synthesis of a macrocyclic skeleton and key fragment 4-amino-6-(2 {\textquoteleft}-amino-4 {\textquoteleft}-hydroxyphenyl)-3-hydroxy-2-methyl-6-oxohexanoic acid (AHMOA)}, journal = {Organic Letters}, volume = {14}, number = {24}, year = {2012}, month = {DEC}, pages = {6222-6225}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A first synthetic effort toward total synthesis of highly potent solomonamides is disclosed. An efficient strategy to synthesize this class of compounds, along with the synthesis of a core macrocycle (shown in red) and the key fragment AHMOA, is described.

}, issn = {1523-7060}, doi = {10.1021/ol303149k}, author = {Kashinath, K. and Vasudevan, N. and Reddy, D. Srinivasa} } @article { ISI:000304851500040, title = {Sugar-amino acid cyclic conjugates as novel conformationally constrained hydroxyethylamine transition-state isosteres}, journal = {Tetrahedron Letters}, volume = {53}, number = {26}, year = {2012}, month = {JUN}, pages = {3361-3363}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Hydroxyethylamine (HEA) isosteres have previously been shown to display a multitude of biomedical applications. In fact, the first protease inhibitor, saquinavir is an HEA based peptidomimetic. Herein we describe an easy-to-operate synthetic route to a series of carbohydrate-based conformationally constrained hydroxyethylamine (HEA) isosteres featuring amino acid side chains, starting from D-glucose. This class of novel sugar-amino acid-tethered conformationally restricted HEA systems may have bearing in practical application, particularly in the development of conformationally restricted protease inhibitors. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Conformationally constrained, D-Glucose, hydroxyethylamine isosteres, protease inhibitor, Reductive amination}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.04.086}, author = {Roy, Arup and Sanjayan, Gangadhar J.} } @article { ISI:000307202800028, title = {Supported copper triflate as an efficient catalytic system for the synthesis of highly functionalized 2-naphthol Mannich bases under solvent free condition}, journal = {Tetrahedron Letters}, volume = {53}, number = {33}, year = {2012}, month = {AUG}, pages = {4376-4380}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Various heterogeneous catalysts (Lewis acid) have been prepared and screened for the synthesis of Betti bases in an attempt to reduce the environmental hazards associated with the conventional homogeneous Lewis acid system. And we found especially Cu(OTf)(2)center dot SiO2 catalyzes the three-component coupling of aldehyde, 2-naphthol, and alicyclic amine to generate Betti base with high efficiency under neat conditions without additional co-catalyst or additive in air. The reaction is not sensitive to water and occurs smoothly in water as well. (c) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Betti bases, single-crystal XRD, Solvent-free, Supported copper triflate, Three-component coupling}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.06.022}, author = {Dindulkar, Someshwar D. and Puranik, Vedavati G. and Jeong, Yeon Tae} } @article {43315, title = {Supramolecular interaction facilitated small molecule films for organic field effect transistors}, journal = {Polymer Chemistry}, volume = {3}, year = {2012}, month = {APR}, pages = {1641-1646}, abstract = {Metalloporphyrins and metal free porphyrins have been explored as active materials in field effect transistors. Amorphous forms of these porphyrins are preferred over their crystalline analogue due to the ease of solution processability. To achieve solution processability, a metalloporphyrin was anchored on a vinyl polymer by taking advantage of the supramolecular interaction between the metal and the pyridine moiety of the polymer. Non covalent bonding was preferred because it provides an opportunity to better manipulate the polymer{\textquoteright}s properties compared to its covalent bonding analogue. The binding between the porphyrin and the polymer was optimised in solution and the supramolecular complex was spun on various substrates to form thin films. The porphyrin was found to be uniformly distributed throughout the polymer films contrary to the existing approaches, wherein small molecule phase segregates in the polymer film. Field effect transistors were fabricated using the porphyrin-polymer complex and the device parameters were measured at atmospheric condition. The devices annealed at 80 degrees C showed hole carrier mobility of 2.0 x 10(-4) cm(2) V-1 s(-1) with charge trapping at the dielectric semiconductor interface. Furthermore, the high carrier mobility observed at low temperature annealing makes this supramolecular complex an attractive candidate to explore in flexible substrates.}, doi = {10.1039/c2py20146a}, author = {Arulkashmir, Arulraj and Mahale, Rajashree Y. and Dharmapurikar, Satej S. and Jangid, Manoj K. and Krishnamoorthy, Kothandam} } @article { ISI:000311858600006, title = {Supramolecular synthon transferability and gelation by diprimary ammonium monocarboxylate salts}, journal = {Crystal Growth \& Design}, volume = {12}, number = {12}, year = {2012}, month = {DEC}, pages = {5864-5868}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Earlier studies revealed that primary ammonium dicarboxylate (PAD) salts possessed gelling ability, and many such salts displayed a 1D columnar hydrogen bonded network (observed in primary ammonium monocarboxylate (PAM) salts) on either side of the dicarboxylate end of the anion. In the present study, a new series of diprimary ammonium monocarboxyate (DPAM) salts have been prepared with the aim of achieving supramolecular synthon transferability (the same 1D columnar hydrogen PAM bonded network on either side of the diammonium cation) in these salts. Single crystal X-ray diffraction studies revealed that, in 47\% of the DPAM salts, such supramolecular synthon transferability indeed took place. Some of the DPAM salts also showed gelation ability. The gels were characterized by DSC, rheology, electron microscopy, and atomic force microscopy. Structure property correlation using single crystal and powder X-ray diffraction data on a selected gel was also attempted.

}, issn = {1528-7483}, doi = {10.1021/cg301242p}, author = {Das, Uttam Kumar and Puranik, Vedavati G. and Dastidar, Parthasarathi} } @article { ISI:000309645000077, title = {Surface characterization of Au-ZnO nanowire films}, journal = {Ceramics International}, volume = {38}, number = {8}, year = {2012}, month = {DEC}, pages = {6665-6670}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Au-ZnO nanowire films have been synthesized by annealing Zn foils coated with a thin layer of gold. An X-ray diffraction study found that the synthesized ZnO consists mainly of a hexagonal wurtzite structure along with a small amount of AuZn3 phase. Scanning electron images showed that the ZnO wires extend to several microns in length. X-ray photoelectron spectroscopy studies confirmed the oxidation states of Au and Zn. An asymmetric O ls peak indicates the presence of oxygen in an oxide layer and O H groups on the films surfaces. Photoluminescence (PL) spectra showed different visible peaks for pre-annealed films, while for annealed films an UV peak appeared. In addition, the PL analysis showed that the overall intensity of photoluminescence decreased significantly after the films were annealed. Raman spectroscopy results also indicated that the crystalline quality of the films improved with annealing. This could be attributed to a decrease in oxygen vacancies and/or absorption of O-H groups on the surface of ZnO film. The highly hydrophilic surface with a water contact angle of similar to 155 degrees was obtained after annealing in air. (c) 2012 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {Au-ZnO, Highly hydrophilic, Nanowires, XPS}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2012.05.054}, author = {Jamali-Sheini, Farid and Yousefi, Ramin and Patil, K. R.} } @article { ISI:000304401600015, title = {Surface species of supported ruthenium catalysts in selective hydrogenation of levulinic esters for bio-refinery application}, journal = {Catalysis Letters}, volume = {142}, number = {6}, year = {2012}, month = {JUN}, pages = {779-787}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Several supported noble metal catalysts were screened for the hydrogenation of methyl levulinate to gamma-valerolactone (GVL). Among these catalysts 5 \% Ru/C showed the highest conversion of 95 \% of methyl levulinate with 91 \% selectivity to GVL. A detailed characterization was carried out using TPR, XRD, XPS and BET techniques. XPS studies revealed that higher extent of Ru-0 species in case of carbon supported Ru was responsible for its higher hydrogenation activity as compared to Ru on other supports. Effect of process parameters such as temperature, H-2 pressure, catalyst and substrate concentration and metal loading on methyl LA conversion and selectivity to GVL also has been studied. 5 \% Ru/C catalyst was found to be stable up to five reuses.

}, keywords = {5 \% Ru/C, Biofeedstock, gamma-Valerolactone, H-2-TPR, Hydrogenation, Methyl levulinate, XPS}, issn = {1011-372X}, doi = {10.1007/s10562-012-0822-4}, author = {Hengne, Amol M. and Biradar, Narayan S. and Rode, Chandrashekhar V.} } @article { ISI:000309024900024, title = {Swift heavy ion induced formation of Al/polymer composite layer for low thermal emissivity in the IR range}, journal = {Nuclear Instruments \& Methods in Physics Research Section B-Beam Interactions with Materials and Atoms}, volume = {287}, year = {2012}, month = {SEP}, pages = {135-140}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Composites of polymers with aluminium were formed by swift high energy ions of 150 MeV, which are used as low thermal emissivity materials for infrared wavelengths between 8-14 mu m. Emissivity and dielectric constants were studied for these structures. A semi-empirical model has been established to obtain the relation between emissivity and dielectric constant. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {composites, dielectric constant, Swift heavy ion, Thermal emissivity}, issn = {0168-583X}, doi = {10.1016/j.nimb.2012.06.005}, author = {Babrekar, Harshada A. and Jog, Jyoti Prakash and Mathe, Vikas L. and Avasthi, D. K. and Ojha, S. and Bhoraskar, S. V.} } @article { ISI:000301098700068, title = {Syntheses, crystal structures, and magnetic properties of metal-organic hybrid materials of Co(II) using flexible and rigid nitrogen-based ditopic ligands as spacers}, journal = {Crystal Growth \& Design}, volume = {12}, number = {3}, year = {2012}, month = {MAR}, pages = {1571-1578}, abstract = {

{A carboxylate-based flexible ligand, 5-(4-carboxybenzyloxy)isophthalic acid (p-cbiaH(3)), readily reacts with Co(II) salts in the presence of different pyridine-based coligands such as 4-bis(4-pyridinylmethyl)piperazine (bpmp) or 1,2-di(4-pyridyl)ethylene (dpe) under hydrothermal conditions to afford two different three-dimensional (3D) coordination polymers, {[Co-4(OH)(2)(p-cbia)(2)(bpmp)-(H2O)(3)]center dot 2H(2)O}(n) (1) and {[Co-4(OH)(2)(p-cbia)(2)(dpe)(H2O)(4)]center dot 2H(2)O\

}, author = {Ahmad, Musheer and Sharma, Mamsh K. and Das, Raja and Poddar, Pankai and Bharadwaj, Parimal K.} } @article { ISI:000303086200012, title = {Synthesis and antifungal activity of 1,5-disubstituted-1,2,3-triazole containing fluconazole analogues}, journal = {Medchemcomm}, volume = {3}, number = {4}, year = {2012}, month = {APR}, pages = {484-488}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Fluconazole based novel mimics containing 1,5-disubstituted 1,2,3-triazoles were synthesized by using Ru catalysed 1,3 dipolar cycloaddition. All the newly synthesized compounds and pure enantiomers were more potent than fluconazole against Candida albicans. Docking of 9A and 9B showed different conformation in the active site of Cyp51 of Candida albicans. The more active compounds 2 and 2A did not exhibit any toxicity up to 3.12 mu g mL(-1) against mammalian cell line L929.

}, issn = {2040-2503}, doi = {10.1039/c2md00205a}, author = {Pore, Vandana S. and Jagtap, Manisha A. and Agalave, Sandip G. and Pandey, Atindra K. and Siddiqi, Mohammad I. and Kumar, Vikash and Shukla, Praveen K.} } @article { ISI:000307390600009, title = {Synthesis and characterization of a new diol-functionalized s-triazine-based polymerizable hindered amine light stabilizer}, journal = {Journal of Vinyl \& Additive Technology}, volume = {18}, number = {3}, year = {2012}, month = {SEP}, pages = {204-208}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A new diol-functionalized triazine-based polymerizable hindered amine light stabilizer (HALS) was synthesized in two steps. First, selective synthesis of an s-triazine containing two HALS moieties as substituents was accomplished by using phase-transfer catalysis. This step required the establishment of optimum reaction conditions (type of two-phase system, best solvent, and catalyst). In the second step, the substituted triazine was treated with diethanolamine to introduce polymerizable diol functionality. The resulting product should act as a light stabilizer, since it contains two HALS moieties anchored to a thermally stable s-triazine unit. Moreover, incorporation of the diol into a polymeric material might be expected to impart prolonged stability in weathering environments. Characterization of the diol was accomplished by using Fourier transform infrared spectroscopy (FTIR), {\textquoteleft}H NMR, and mass spectrometry. J. VINYL ADDIT. TECHNOL., 18:204208, 2012. (c) 2012 Society of Plastics Engineers

}, issn = {1083-5601}, doi = {10.1002/vnl.20306}, author = {Mehare, Rupali S. and Lonkar, Sunil P. and Singh, R. P.} } @article { ISI:000324503204546, title = {Synthesis and self-assembly of glycopolypeptides}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {243}, year = {2012}, note = {243rd National Spring Meeting of the American-Chemical-Society, San Diego, CA, MAR 25-29, 2012}, month = {MAR}, publisher = {Amer Chem Soc}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0065-7727}, author = {Pati, Debasis and Sen Gupta, Sayam} } @article { ISI:000300076200019, title = {Synthesis and stereochemistry of highly crowded N-benzylpiperidones}, journal = {Journal of Molecular Structure}, volume = {1007}, year = {2012}, month = {JAN}, pages = {158-167}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of N-benzylated 3,5-diakyl-2,6-diarylpiperidin-4-ones 4-8 were conveniently synthesized in significant yields of 68-88\% by N-benzylation of the corresponding 2,6-diaryl-3,5-dimethylpiperidin-4-ones 1-3 using different benzyl bromides. Initially, the new piperidone 2,6-bis(4-ethoxypheny1)-3,5-dimethylpiperidin-4-one 3 was synthesized by the condensation of 1:1:2 M ratio of 3-pentanone, ammonium acetate and para-ethoxybenzaldehyde in ethanolic medium. All the synthesized new compounds 3-8 were characterized by their analytical and spectral (IR, H-1 and C-13 NMR) interpretations. The stereochemistry of the new piperidone 3 was elucidated as chair conformation with an equatorial orientation of all substituents, suggested by its vicinal couplings from H-1 NMR spectrum. To investigate the impact on piperidone stereochemistry as well as NMR chemical shifts, all the N-benzylated products 4-8 were compared with their corresponding precursors, and as a result, it is clearly established that all the synthesized N-benzyl piperidones exist in the chair conformation with an equatorial orientation of all the substituents at C-2, C-3, C-5, C-6 and N. Contrary to the probability all N-benzylated compounds retain the same conformation and configuration as their precursors, however, a remarkable change on the chemical shifts are observed. For the further unambiguous confirmation of stereochemistry, the 1-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one 4 was examined by single-crystal X-ray diffraction. The compound 4, C26H27NO, crystallized in a P-1 space group under triclinic system with unit cell dimensions a, b, c (angstrom) and alpha, beta, gamma (degrees) of 10.156(2), 11.002(2), 11.348(4) and 116.74(4), 100.81(3), 100.17(3), respectively. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Chair conformation, Configuration, crystal structure, N-benzylation, NMR, Piperidin-4-one}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2011.10.037}, author = {Dindulkar, Someshwar D. and Parthiban, Paramasivam and Puranik, Vedavati G. and Jeong, Yeon Tae} } @article { ISI:000303157400022, title = {Synthesis and structural characterization of homochiral homo-oligomers of cis-gamma-methoxy-substituted cis- and trans-furanoid-beta-amino acids}, journal = {European Journal of Organic Chemistry}, number = {13}, year = {2012}, month = {MAY}, pages = {2656-2663}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Herein we describe the synthesis of cis-/trans-3-aminotetrahydrofuran-2-carboxylic acids (cis-/trans-FAA) having a ?-methoxy group cis to the amine. The homo-oligomers of these two diastereomeric FAAs have been prepared. Preliminary investigation of their solution secondary structures revealed that they are the same as the homo-oligomers of the parent cis-/trans-FAA with the methoxy group only being a spectator substituent.

}, keywords = {Amino acids, helical structures, Oxygen heterocycles, Peptides}, issn = {1434-193X}, doi = {10.1002/ejoc.201101424}, author = {Giri, Awadut G. and Jogdand, Ganesh F. and Rajamohanan, Pattuparampil R. and Pandey, Sunil K. and Ramana, Chepuri V.} } @article { ISI:000308279900043, title = {Synthesis, characterization, and magnetic studies of coordination polymers with Co(II) and Mn(II) ions}, journal = {Crystal Growth \& Design}, volume = {12}, number = {9}, year = {2012}, month = {SEP}, pages = {4624-4632}, abstract = {

{An ether bridged tricarboxylic acid ligand, 5-(4-carboxybenzyloxy)isophthalic acid (p-cbiaH(3)) has been used to construct three coordination polymers with Co(II) salts in presence of different nitrogen donor ligands such as 1,4-bis(4-pyridinylmethyl)piperazine (bpmp), dipyridine-4-yl-diazene (dpd), and 4,4{\textquoteright}-bipyridine (bpy). The products formed under hydrothermal conditions are formulated as {[Co-3(p-cbia)(2)(bpmp)(2)(H2O)(6)]center dot 10H(2)O}(n) (1), {[Co-2(p-cbiaH)(2)(dpd)(H2O)(2)]\

}, author = {Ahmad, Musheer and Das, Raja and Lama, Prem and Poddar, Pankaj and Bharadwaj, Parimal K.} } @article { ISI:000303442500017, title = {Synthesis of functional hybrid silica scaffolds with controllable hierarchical porosity by dynamic templating}, journal = {Chemical Communications}, volume = {48}, number = {43}, year = {2012}, month = {MAR}, pages = {5292-5294}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a facile one-pot synthesis of hierarchically porous scaffolds, with independent control over nanoparticle mesoporosity and scaffold macroporosity. Our technique combines the chemistry of mesoporous silica nanoparticles with the control afforded by dynamic templating of surfactant mesophases. These materials are readily functionalizable and allow controllable spatial variation in macroporosity.

}, issn = {1359-7345}, doi = {10.1039/c2cc30885a}, author = {Ganai, Anal Kumar and Kumari, Sushma and Sharma, Kamendra P. and Panda, Chakadola and Kumaraswamy, Guruswamy and Sen Gupta, Sayam} } @article { ISI:000309382100040, title = {Synthesis of glycidol from glycerol and dimethyl carbonate using ionic liquid as a catalyst}, journal = {Catalysis Communications}, volume = {27}, year = {2012}, month = {OCT}, pages = {184-188}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Transesterification of dimethyl carbonate with glycerol has been investigated using various ionic liquids as catalysts. Synthesis of glycidol with high selectivity (78\%) has been achieved using tetramethylammonium hydroxide ([TMA][OH]) as a catalyst at 80 degrees C. Effect of various reaction conditions on the activity and selectivity was investigated and catalyst concentration had a significant influence on conversion as well as selectivity to glycidol. Activity as well as selectivity of the catalyst decreased significantly with increase in moisture content. Recycle experiment indicated slight drop in glycerol conversion and selectivity to glycidol because of dilution of reaction mixture and also the presence of products from the initial experiment. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Glycerol carbonate, Glycidol, Ionic liquid, Transesterification of glycerol}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.07.003}, author = {Gade, Swapna M. and Munshi, Mudassir K. and Chherawalla, Batul M. and Rane, Vilas H. and Kelkar, Ashutosh A.} } @article { ISI:000310947900007, title = {Synthesis of isomeric corniculatolides}, journal = {Tetrahedron Letters}, volume = {53}, number = {47}, year = {2012}, month = {NOV}, pages = {6343-6346}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Synthesis of three natural macrolides 11-O-methylcorniculatolide A, 11-O-methylisocorniculatolide A and isocorniculatolide A is reported using a simple, straight forward and high-yielding route. The present synthesis confirms the assigned molecular structures and provides an access to sufficient quantities of the natural products for the biological evaluation. In addition, we have determined the anti-TB potential of the three natural compounds using Alamar-Blue assay (H(37)Rv) and found no significant inhibitory activity at 100 mu g/ml. Excellent yields, short sequence and useful SAR information are the highlights of the present work. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Diaryl ether, Isocorniculatolide, Macrocyclization, Mitsunobu reaction, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.09.010}, author = {Raut, Gajanan N. and Chakraborty, Kasturi and Verma, Priyanka and Gokhale, Rajesh S. and Reddy, D. Srinivasa} } @article {42647, title = {Synthesis of linear polylactic acid {\textendash}based urethanes using tin modified closite -30b catalyst}, journal = {Advance Material Letters}, volume = {3}, year = {2012}, month = {JAN}, pages = {161 - 171}, author = {Selukar, Balaji S. and Parwe, Sharad P. and Mohite, Kavita K. and Garnaik, Baijayantimala} } @article {42710, title = {Synthesis of polyamides from diols and diamines with liberation of H2}, journal = {Journal of Polymer Science Part A: Polymer Chemistry}, volume = {50}, year = {2012}, month = {MAY}, pages = {1755{\textendash}1765}, abstract = {

The amidation reaction based on catalytic coupling of alcohols with amines previously reported by us, using the pincer complexes 1 and 2 as catalysts, was applied to the generation of polyamides from nonactivated diols and diamines. A range of polymers was prepared, with Mn up to 26.9 kDa. Unlike the traditional syntheses of polyamides based on carboxylic acid derivatives, which require the use of toxic reagents and generate stoichiometric amounts of waste, this process generates only molecular hydrogen as byproduct. Both aromatic and aliphatic diols and diamines were used. Gel permeation chromatography measurements of the dimethylformamide-soluble polymers and thermal studies of the polyamides were performed. Matrix assisted laser desorption/ionization time-of-flight (MALDI-TOF) spectra are also reported. Thermogravimetric analyses studies indicate that the aromatic polyamides (with the exception of the pyridine-based polyamide) are more thermally stable than the aliphatic ones. This general, environmentally benign method for the synthesis of polyamides is homogeneously catalyzed under neutral conditions by dearomatized ruthenium-pincer complexes 1 and 2 and proceeds in 1,4-dioxane under an inert atmosphere. Conditions for polyamidation in the absence of solvent are also reported, using the pincer complex 2 as catalyst. {\textcopyright} 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012

}, doi = {10.1002/pola.25943}, author = {Gnanaprakasam, Boopathy and Balaraman, Ekambaram and Gunanathan, Chidambaram and Milstein, David} } @article { ISI:000310931900030, title = {Synthesis of silk fibroin-glycopolypeptide conjugates and their recognition with lectin}, journal = {Biomacromolecules}, volume = {13}, number = {11}, year = {2012}, month = {NOV}, pages = {3695-3702}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Silk fibroin (SF), the natural fibrous protein created by the Bombyx mori silk worm, is being increasingly excellent mechanical strength, high oxygen/water permeability, excellent mechanical strength; high oxygen/water:permeability, and biocompatibility: :It is also well known that surface. modification of SF, With Organic ligands such as the extracellular protein :binding. Arg-Gly-Asp, (RGD) peptides:,: help adhesion and,proliferation. of cells better-a key; requirement for it to function as extracellular. matrices; In this, Work, We have conjugated synthetic glycopolypeptides (GPs) that were synthesized by controlled ring opening polymerization of alpha-manno-lys N-carboxyanhydrides (NCAs) onto SF by using Cu catalyzed click reaction to synthesize 1 a new hybrid :Material (SF GP), Which We believe will have :both the mechanical properties of native SF and the molecular recognition property of the carbohydrates in the GP. By controlling the :amount of GP grafted onto SF, we have made three SF GP conjugates that differ in their ability to assemble into films. SF GP conjugates having a very high content of GP formed completely water soluble brush like polymer that displayed very high affinity toward the lectin concanavalin-A (Con-A) Films cast from SF-GP conjugates using lower amounts of grafted GP were more stable in water, and the stability can be modulated by varying the amount of G grafted. The water insoluble film SF-GP(25) was also found to bind to fluorescently labeled Con A, as was seen by confocal microscopy Such SF-GP hybrid films may be useful as mimics of extracellular matrices for tissue engineering:

}, issn = {1525-7797}, doi = {10.1021/bm301170u}, author = {Das, Soumen and Pati, Debasis and Tiwari, Neha and Nisal, Anuya and Sen Gupta, Sayam} } @article { ISI:000315212500001, title = {Synthesis of substituted 2,6-dicyanoanilines and related compounds. a review}, journal = {Organic Preparations and Procedures International}, volume = {44}, number = {6}, year = {2012}, month = {JAN}, pages = {467-521}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, issn = {0030-4948}, doi = {10.1080/00304948.2012.715055}, author = {Borate, Hanumant B. and Kudale, Ananada S. and Agalave, Sandip G.} } @article { ISI:000306049900037, title = {Synthesis of the aminocyclitol units of (-)-hygromycin a and methoxyhygromycin from myo-inositol}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {13}, year = {2012}, month = {JUL}, pages = {5801-5807}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Concise and efficient syntheses of the aminocyclitol cores of hygromycin A (HMA) and methoxyhygromycin (MHM) have been achieved starting from readily available myo-inositol. Reductive cleavage of myo-inositol orthoformate to the corresponding 1,3-acetal, stereospecific introduction of the amino group via the azide, and resolution of a racemic cyclitol derivative as its diastereomeric mandelate esters are the key steps in the synthesis. Synthesis of the aminocyclitol core of hygromycin A involved chromatography in half of the total number of steps, and the aminocyclitol core of methoxyhygromycin involved only one chromatography.

}, issn = {0022-3263}, doi = {10.1021/jo300444b}, author = {Gurale, Bharat P. and Shashidhar, Mysore S. and Gonnade, Rajesh G.} } @article { ISI:000302902200025, title = {Synthesis, spectroscopy, and electrochemical investigation of new conjugated polymers containing thiophene and 1,3,4-thiadiazole in the main chain}, journal = {Journal of Applied Polymer Science}, volume = {125}, number = {3}, year = {2012}, month = {AUG}, pages = {1882-1889}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Novel photoluminescent donoracceptor poly(p-phenylenevinylene)-type conjugated polymers containing thiophene and 1,3,4-thiadiazole units in the main chain were synthesized from 2,5-bis(5-bromomethyl-2-thienyl)-1,3,4-thiadiazole and 1,3/1,4-benzenedialdehyde by WittigHorner reaction. The synthesized polymers were characterized by the use of thermal analysis and spectroscopic (infrared, UV-visible absorption, and photoluminescence) measurement. The resultant material exhibited bluish green, green, and orange fluorescence in their solution and thin film and solid forms, respectively. The redox property of the polymers has also been studied by cyclic voltammetry. The optical and electrochemical studies reveal that these novel polymers are new promising materials for the development of efficient polymer light-emitting diodes. (c) 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012

}, keywords = {conjugated polymers, photoluminescence, thiophene and thiadiazole-containing polymer}, issn = {0021-8995}, doi = {10.1002/app.36238}, author = {Patil, Prashant S. and Haram, Nanda S. and Pal, Ravindra R. and Periasamy, N. and Wadgaonkar, Prakash P. and Salunkhe, Manikrao M.} } @article { ISI:000312003800010, title = {Synthetic studies towards NG-121: diastereoselective synthesis of NG-121 methyl ether}, journal = {Synthesis-Stuttgart}, volume = {44}, number = {24}, year = {2012}, month = {DEC}, pages = {3797-3804}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Starting from unsymmetrically O-protected methyl 4-bromo-3,5-dihydroxybenzoate, a facile synthesis of the methyl ether of bioactive natural product NG-121 was accomplished in very good overall yield. The key steps were: Stille coupling reaction of the farnesyl unit with the electron-rich phenolic segment; hydroxy-directed selective epoxidation of the farnesyl chain along with concomitant phenol-driven intramolecular regio- and diastereoselective ring closure to the corresponding hydroxybenzopyran; and regioselective formylation followed by in situ reductive lactonization.

}, keywords = {4-bromo-3, 5-dihydroxybenzoate, formylation, intramolecular cyclization, lactonization, NG-121 methyl ether, Stille coupling}, issn = {0039-7881}, doi = {10.1055/s-0032-1317544}, author = {Singh, Mandeep and N. P. Argade} } @article { ISI:000318917900005, title = {Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability}, journal = {Chemical Communications}, volume = {49}, number = {46}, year = {2013}, month = {APR}, pages = {5262-5264}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{Eight Zn-based porous (1.2 nm) homochiral MOFs (ValZnX, AlaZnX

}, issn = {1359-7345}, doi = {10.1039/c3cc41842a}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Saha, Subhadeep and Banerjee, Rahul} } @article { ISI:000326716300008, title = {Seasonal prediction of Indian summer monsoon in NCEP coupled and uncoupled model}, journal = {Theoretical and Applied Climatology}, volume = {114}, number = {3-4}, year = {2013}, month = {NOV}, pages = {459-477}, publisher = {SPRINGER WIEN}, address = {SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA}, abstract = {

This study has identified probable factors that govern ISMR predictability. Furthermore, extensive analysis has been performed to evaluate factors leading to the predictability aspect of Indian Summer Monsoon Rainfall (ISMR) using uncoupled and coupled version of National Centers for Environmental Prediction Coupled Forecast System (CFS). It has been found that the coupled version (CFS) has outperformed the uncoupled version [Global Forecast System (GFS)] of the model in terms of prediction of rainfall over Indian land points. Even the spatial distribution of rainfall is much better represented in the CFS as compared to that of GFS. Even though these model skills are inadequate for the reliable forecasting of monsoon, it imparts the capacious knowledge about the model fidelity. The mean monsoon features and its evolution in terms of rainfall and large-scale circulation along with the zonal and meridional shear of winds, which govern the strength of the monsoon, are relatively closer to the observation in the CFS as compared to the GFS. Furthermore, sea surface temperature-rainfall relation is fairly realistic and intense in the coupled version of the model (CFS). It is found that the CFS is able to capture El Nio Southern Oscillation ISMR (ENSO-ISMR) teleconnections much strongly as compared to GFS; however, in the case of Indian Ocean Dipole ISMR teleconnections, GFS has the larger say. Coupled models have to be fine-tuned for the prediction of the transition of El Nio as well as the strength of the mature phase has to be improved. Thus, to sum up, CFS tends to have better predictive skill on account of following three factors: (a) better ability to replicate mean features, (b) comparatively better representation of air-sea interactions, and (c) much better portrayal of ENSO-ISMR teleconnections. This study clearly brings out that coupled model is the only way forward for improving the ISMR prediction skill. However, coupled model{\textquoteright}s spurious representation of SST variability and mean model bias are detrimental in seasonal prediction.

}, issn = {0177-798X}, doi = {10.1007/s00704-013-0854-8}, author = {Chaudhari, Hemantkumar S. and Pokhrel, Samir and Mohanty, Sachiko and Saha, Subodh K.} } @article { ISI:000329137400042, title = {Selective imaging of quorum sensing receptors in bacteria using fluorescent Au nanocluster probes surface functionalized with signal molecules}, journal = {ACS Applied Materials \& Interfaces}, volume = {5}, number = {24}, year = {2013}, month = {DEC}, pages = {13076-13081}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Fluorescent ultrasmall gold clusters decorated with bacterial quorum sensing signal molecules, acyl homoserine lactone, are synthesized. These fluorescent probes are found to have emission in the near-infrared spectral region advantageous for bioimaging. Imaging studies using different. strains of bacteria with and without acyl homoserine lactone receptors with the aid of confocal microscopy have shown that the probe interacts preferentially with cells possessing these receptors. This indicates that, with appropriate surface functionalization, the Au clusters can be used for receptor specific detection with enhanced selectivity.

}, keywords = {Au nanoclusters, Biosensor, fluorescence imaging, quorum sensing}, issn = {1944-8244}, doi = {10.1021/am404093m}, author = {Mukherji, Ruchira and Samanta, Anupam and Illathvalappil, Rajith and Chowdhury, Somak and Prabhune, Asmita and Devi, R. Nandini} } @article { ISI:000316847500014, title = {Self-assembly in tailor-made polyfluorenes: synergistic effect of porous spherical morphology and fret for visual sensing of bilirubin}, journal = {Macromolecules}, volume = {46}, number = {6}, year = {2013}, month = {MAR}, pages = {2159-2171}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two new fluorene-based homo- (PDP-PF) and copolymers (PDPPF-co-Ph) were synthesized with a bulky 3-pentadecylphenoxy (PDP) group appended hexyl chains at the 9, 9{\textquoteright} position using Suzuki coupling polymerization. Investigation on the morphology of the polymers using microscopic techniques like TEM and AFM indicated formation of self-assembled nanostructures like vesicles by PDP-PF and porous spheres by PDPPF-co-Ph respectively. Dynamic as well as static light scattering studies (DLS, SLS) in THF also indicated the existence of self-assembled nanosized particles in solution with a shape factor (rho) of 0.76 and 0.96 for PDP-PF and PDPPF-co-Ph, respectively, confirming the existence of vesicles in the case of the former and spherical particles in the case of the latter polymer. The favorable photophysical properties of the polyfluorenes were taken advantage of for the selective sensing of unbound bilirubin (BR) in THF. A high energy transfer efficiency of 86\% upon addition of bilirubin with color change from blue (polyfluorene emission) to green (FRET-induced bilirubin emission) was observed with PDPPF-co-Ph. Steady state fluorescence measurements gave a minimum donor-acceptor distance of 36 A(0) and time-resolved fluorescence decay measurements showed a reduction in average lifetime of PDPPF-co-Ph (from 450 to 240 ps) upon addition of bilirubin indicating efficient energy transfer. The open porous spherical assembly of PDPPF-co-Ph enabled better adsorption of the analyte, which along with the good spectral overlap resulted in greater efficiency for FRET-induced energy transfer. Sensing of unbound bilirubin was also attempted in THF/water solvent mixture in an effort to simulate the unbound (THF soluble) and bound (water-soluble) bilirubin equilibrium. Enhancement of bilirubin emission coupled with quenching of polyfluorene emission makes this approach adaptable for visual fluorimetric color change (blue to green) based sensor. Structural analogues such as biliverdin and porphyrin showed poor fluorescence quenching efficiency, thus highlighting the selectivity and sensitivity of the FRET-based sensing of bilirubin by the newly designed polyfluorene.

}, issn = {0024-9297}, doi = {10.1021/ma4000946}, author = {Senthilkumar, T. and Asha, S. K.} } @article {42493, title = {Self-assembly of modified rhodamine-6G with tri-block copolymer: unusual vesicles formation, pH sensing and dye release properties}, journal = {Journal of Materials Chemistry B}, volume = {1}, year = {2013}, month = {DEC}, pages = {1150-1155}, abstract = {

A new rhodamine-6G derivative having a C18-alkyl chain self-assembles with an amphiphilic tri-block copolymer and forms stable vesicles in water or in water{\textendash}ethanol (4 : 1, v/v) medium. The stability of the spirolactam form of the rhodamine-6G derivative in these vesicular structures, along with studies of controlled dye release and pH sensing are discussed. Transmission electron micrographs and DLS analyses confirm the formation of vesicular structures. Atomic force microscopy (AFM) images show that the self assembled tri-block copolymer-octadecyl rhodamine vesicles form near spherical nanostructures with a size ranging from 80 to 110 nm. Furthermore, the vesicular system is disassembled under acidic conditions, releasing the cargo which are an integral part of the vesicle. Dye-release studies showed that the release rates of the loaded dye in the vesicles could be well-controlled as a function of the media pH. These results offer an opportunity to use these nanovesicles as imaging reagents for probing media pH with their simultaneous use as nanocarriers for intracellular drug delivery.

}, doi = {10.1039/C2TB00193D}, author = {Praveen, L. and Saha, Sukdeb and Jewrajka, Suresh K. and Das, Amitava} } @article {43289, title = {Self-assembly to function: design, synthesis and broad spectrum antimicrobial properties of short hybrid E-vinylogous lipopeptides}, journal = {Journal of Medicinal Chemistry}, volume = {56}, year = {2013}, month = {NOV}, pages = {8468-8474}, abstract = {Nonribosomal E-vinylogous gamma-amino acids are widely present in many peptide natural products and have been exploited as inhibitors for serine and cysteine proteases. Here, we are reporting the broad spectrum antimicrobial properties and self-assembled nanostructures of various hybrid lipopeptides composed of 1:1 alternating alpha-and E-vinylogous residues. Analysis of the results revealed that self-assembled nanostructures also play a significant role in the antimicrobial and hemolytic activities. In contrast to the alpha-peptide counterparts, vinylogous hybrid peptides displayed excellent antimicrobial properties against various bacterial and fungal strains. Peptides that adopted nanofiber structures displayed less hemolytic activity, while peptides that adopted nanoneedle structures displayed the highest hemolytic activity.}, doi = {10.1021/jm400884w}, author = {Shankar, S. Shiva and Benke, Sushil N. and Nagendra, Narem and Srivastava, Prabhakar Lal and Thulasiram, Hirekodathakallu V. and Gopi, Hosahudya N.} } @article {43232, title = {Sensing behavior of atomically thin-layered MoS2 transistors}, journal = {ACS Nano}, volume = {7}, year = {2013}, month = {JUN}, pages = {4879-4891}, abstract = {Most of recent research on layered chalcogenides is understandably focused on single atomic layers. However, it is unclear if single-layer units are the most ideal structures for enhanced gas solid interactions. To probe this issue further, we have prepared large-area MoS2 sheets ranging from single to multiple layers on 300 nm SiO2/Si substrates using the micromechanical exfoliation method. The thickness and layering of the sheets were identified by optical microscope, invoking recently reported specific optical color contrast, and further confirmed by AFM and Raman spectroscopy. The MoS2 transistors with different thicknesses were assessed for gas-sensing performances with exposure to NO2, NH3, and humidity in different conditions such as gate bias and light Irradiation. The results show that, compared to the single-layer counterpart, transistors of few MoS2 layers exhibit excellent sensitivity, recovery, and ability to be manipulated by gate bias and green light. Further, our ab initio DFT calculations on single-layer and bilayer MoS2 show that the charge transfer is the reason for the decrease in resistance in the presence of applied field.}, doi = {10.1021/nn400026u}, author = {Late, Dattatray J. and Huang, Yi-Kai and Liu, Bin and Acharya, Jagaran and Shirodkar, Sharmila N. and Luo, Jiajun and Yan, Aiming and Charles, Daniel and Waghmare, Umesh V. and Dravid, Vinayak P. and Rao, C. N. R.} } @article { ISI:000325943200033, title = {Sequence dependent lipid-mediated effects modulate the dimerization of ErbB2 and its associative mutants}, journal = {Physical Chemistry Chemical Physics}, volume = {15}, number = {43}, year = {2013}, month = {SEP}, pages = {19031-19041}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The association of transmembrane helices is an important event in several biological processes, but the factors governing association, especially the non-specific environmental effects, have still not been elucidated. Here, we use coarse-grain molecular dynamics simulations to study the association of ErbB2 transmembrane helices and three {\textquoteleft}{\textquoteleft}oncogenic mutants.{\textquoteright}{\textquoteright} Self-assembly simulations and the dimerization free-energy profiles confirm an energetically-favorable dimerized state for both the wildtype and the mutants. The dissociation free energy of all three mutants is calculated to be larger than the wildtype peptide. Along with favourable protein-protein interactions, non-specific environmental effects are observed to contribute to the association. In particular, local bilayer thinning along with membrane perturbations are seen around the mutants. The membrane perturbations are reduced upon helix association, suggesting that lipid chain packing is an important driving force for helix dimerization. Our results highlight the importance of both specific as well as non-specific driving forces in the association of transmembrane helices.

}, issn = {1463-9076}, doi = {10.1039/c3cp52447g}, author = {Prasanna, Xavier and Praveen, P. J. and Sengupta, Durba} } @article { ISI:000323093300010, title = {Short synthesis of (2S,3S)-3-hydroxypipecolic acid}, journal = {Tetrahedron Letters}, volume = {54}, number = {36}, year = {2013}, month = {SEP}, pages = {4851-4853}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A convenient synthesis of (2S,3S)-3-hydroxypipecolic acid starting from cheap and abundant L-(+)-tartaric acid has been achieved. The strategy employs selective ester reduction and reductive lactamization as key steps. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Reductive lactamization, Selective deprotection, Wittig reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.06.111}, author = {Chavan, Subhash P. and Harale, Kishor R. and Pawar, Kailash P.} } @article { ISI:000319330200007, title = {Silencing an N-acyltransferase-like involved in lignin biosynthesis in nicotiana attenuata dramatically alters herbivory-induced phenolamide metabolism}, journal = {Plos One}, volume = {8}, number = {5}, year = {2013}, month = {MAY}, pages = {e62336}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

In a transcriptomic screen of Manduca sexta-induced N-acyltransferases in leaves of Nicotiana attenuata, we identified an N-acyltransferase gene sharing a high similarity with the tobacco lignin-biosynthetic hydroxycinnamoyl-CoA: shikimate/quinate hydroxycinnamoyl transferase (HCT) gene whose expression is controlled by MYB8, a transcription factor that regulates the production of phenylpropanoid polyamine conjugates (phenolamides, PAs). To evaluate the involvement of this HCT-like gene in lignin production as well as the resulting crosstalk with PA metabolism during insect herbivory, we transiently silenced (by VIGs) the expression of this gene and performed non-targeted (UHPLC-ESI/TOF-MS) metabolomics analyses. In agreement with a conserved function of N. attenuata HCT-like in lignin biogenesis, HCT-silenced plants developed weak, soft stems with greatly reduced lignin contents. Metabolic profiling demonstrated large shifts (up to 12\% deregulation in total extracted ions in insect-attacked leaves) due to a large diversion of activated coumaric acid units into the production of developmentally and herbivory-induced coumaroyl-containing PAs (N{\textquoteright}, N {\textquoteleft}{\textquoteright}-dicoumaroylspermidine, N{\textquoteright}, N {\textquoteleft}{\textquoteright}-coumaroylputrescine, etc) and to minor increases in the most abundant free phenolics (chlorogenic and cryptochlorogenic acids), all without altering the production of well characterized herbivory-responsive caffeoyl-and feruloyl-based putrescine and spermidine PAs. These data are consistent with a strong metabolic tension, exacerbated during herbivory, over the allocation of coumaroyl-CoA units among lignin and unusual coumaroyl-containing PAs, and rule out a role for HCT-LIKE in tuning the herbivory-induced accumulation of other PAs. Additionally, these results are consistent with a role for lignification as an induced anti-herbivore defense.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0062336}, author = {Gaquerel, Emmanuel and Kotkar, Hemlata and Onkokesung, Nawaporn and Galis, Ivan and Baldwin, Ian T.} } @article { ISI:000317956600008, title = {Silicon-induced general, mild, and efficient one-pot, three-component synthesis of amidoalkyl naphthol libraries}, journal = {Synlett}, volume = {24}, number = {6}, year = {2013}, month = {APR}, pages = {713-718}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A general mild and efficient protocol for the synthesis of amidoalkyl naphthol libraries was achieved utilizing tetrachlorosilane and zinc chloride in dichloromethane at ambient temperature via a one-pot, three-component condensation of various aldehydes, nitriles (amides), and beta-naphthol.

}, keywords = {amidoalkyl naphthols, combinatorial synthesis, multicomponent reactions, Ritter reaction, tetrachlorosilane}, issn = {0936-5214}, doi = {10.1055/s-0032-1318392}, author = {Salama, Tarek A.} } @article { ISI:000328335000013, title = {Simple synthesis of the novel antihistaminic drug olopatadine hydrochloride}, journal = {Synthesis-Stuttgart}, volume = {45}, number = {24}, year = {2013}, month = {DEC}, pages = {3399-3403}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A new alternative route for the synthesis of olopatadine is described. The present strategy involves a Lewis acid mediated ring opening of a cyclic ether to introduce 3-(dimethylamino)propylidene group as the side chain.

}, keywords = {antihistaminic drugs, chelates, Lewis acids, spiro compounds, zinc}, issn = {0039-7881}, doi = {10.1055/s-0033-1340008}, author = {Chavan, Subhash P. and Lasonkar, Pradeep B.} } @article { ISI:000323179000029, title = {Single pot conversion of furfuryl alcohol to levulinic esters and gamma-valerolactone in the presence of sulfonic acid functionalized ILs and metal catalysts}, journal = {Green Chemistry}, volume = {15}, number = {9}, year = {2013}, month = {JUL}, pages = {2540-2547}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Ionic liquids functionalized with acidic anions, HSO4, ClSO3H, PTSA, TFA (MIm), HSO4 and TFA (NMP) were found to efficiently (99\% conversion) catalyze the alcoholysis of furfuryl alcohol (FAL) in the presence of methanol, ethanol, n-butanol and isopropyl alcohol (IPA) to the corresponding levulinic acid esters under mild temperature (90-130 degrees C) conditions. The extended alkyl chain length of [MIm] using 1,4-butane sultone enhanced the Bronsted acidity of [BMIm-SH][HSO4] catalyst resulting into the highest selectivity of \>95\% to Me-LA. An increase in both temperature and catalyst concentration increased the furfuryl alcohol conversion and selectivity to levulinate esters. In contrast, an increase in the substrate concentration from 5 to 15\% caused a decrease in Me-LA selectivity due to accumulation of intermediate ethers of furfuryl alcohol. Using a combination of [BMIm-SH][HSO4] and 5\% Ru/C catalyst, direct conversion of FAL to gamma-valerolactone (GVL) is shown for the first time. A complete conversion of FAL with the highest selectivity of 68\% to GVL could be achieved under optimum conditions while higher Ru loading enhanced the GVL selectivity to 94\% in the hydrogenation step of this tandem approach. Our catalyst system could be efficiently recycled five times retaining the original activity and selectivity levels.

}, issn = {1463-9262}, doi = {10.1039/c3gc41098f}, author = {Hengne, Amol M. and Kamble, Sumit B. and Rode, Chandrashekhar V.} } @article { ISI:000318142300022, title = {Solution and in silico studies on the recombinant lectin from Cicer arietinum seeds}, journal = {International Journal of Biological Macromolecules}, volume = {56}, year = {2013}, month = {MAY}, pages = {149-155}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The Cicer arietinum seed lectin was cloned and expressed in Escherichia coli and purified in active form. Conformational characterization of the recombinant lectin (rCAL) was performed using biophysical and bioinformatics tools. Thermal denaturation of rCAL caused rapid secondary structural rearrangements above 50 degrees C and transient exposure of hydrophobic residues at 55 degrees C, leading to aggregation. Treatment of rCAL with GdnHCl resulted in unfolding followed by dissociation of the dimer. The single tryptophan in rCAL present on the surface of the protein is surrounded by hydrophobic and acidic amino acids and exists as different conformers. The experimental observations correlated well with the structural information revealed from the homology model of rCAL. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Aggregation, BL21-CodonPlus (DE3)-RIL cells, Cicer lectin, Homology model, Steady-state and time resolved fluorescence, Unfolding}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.02.015}, author = {Wakankar, Madhurima S. and Krishnasastry, Musti V. and Jaokar, Tulika M. and Patel, Krunal A. and Gaikwad, Sushama M.} } @article { ISI:000314743000016, title = {Solvent-free, highly efficient one-pot multi-component synthesis of 1-amido- and 1-carbamato-alkyl naphthols/phenols catalyzed by ethylammonium nitrate as reusable ionic liquid under neat reaction condition at ambient temperature}, journal = {Tetrahedron Letters}, volume = {54}, number = {7}, year = {2013}, month = {FEB}, pages = {672-675}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A solvent-free, environmentally clean, mild, and simple one-pot multi-component protocol has been developed for the efficient synthesis of 1-amido- and 1-carbamato-alkyl naphthols/phenols in excellent yields via one-pot three-component condensation of various aldehydes, amides/carbamates/urea, and naphthols/phenols using ethylammonium nitrate (EAN) as a reusable ionic liquid catalyst under neat reaction condition at ambient temperature. (c) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Aldehyde, amide, Carbamate Phenol, Ethylammonium nitrate (EAN), Urea}, issn = {0040-4039}, doi = {10.1016/j.tetlet2012.12.004}, author = {Mulla, Shafeek Abdul Rashid and Salama, Tarek A. and Pathan, Mohsinkhan Y. and Inamdar, Suleman M. and Chavan, Santosh S.} } @article { ISI:000323763000015, title = {Solvent-induced self-assembly of hydrogen bonded P4VP-perylenebisimide comb polymer}, journal = {Journal of Materials Chemistry C}, volume = {1}, number = {37}, year = {2013}, month = {JUL}, pages = {5925-5934}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Polymeric supramolecular assemblies were formed when an unsymmetric perylenebisimide substituted with ethylhexyl chains on one end and functionalized with 3-pentadecylphenol at the other termini (PDP-UPBI) was complexed with poly(4-vinylpyridine) (P4VP) via hydrogen-bonding interaction. The self-assembly behavior of this polymeric supramolecule poly(4-vinylpyridine)-perylenebisimide P4VP(PDP-UPBI)(1.0) was studied in solvents of varying polarity like chloroform (CHCl3) and methylcyclohexane (MCH). Variable concentration and variable temperature proton NMR studies in CDCl3 and deuterated 1,1,2,2-tetrachloroethane (TCE), respectively, revealed the polymeric nature of the perylenebisimide upon complexation and the high thermal stability of the self organized structures in solution. The improved solubility afforded by the complexation enabled variable temperature UV-Vis absorption studies in the non-polar solvent MCH, which indicated the existence of strong face-to-face stacked H-type aggregates. The strong fluorescence quenching in MCH also supported the identification of the nature of aggregates as co-facial H-type. Although the existence of aggregates was not very evident in dilute solutions of chloroform, the fluorescence of the P4VP(PDP-UPBI) 1.0 was quenched compared to that of PDP-UPBI. Thin spin coated films of the complex from chloroform exhibited features of rotationally displaced H-type aggregates characterized by blue shift of absorption maxima and the appearance of a new red shifted peak at 540 nm with weak aggregate emission beyond 600 nm. Morphology analysis of drop cast samples using scanning electron microscopy (SEM) and transmission electron microscopy (TEM) revealed the formation of micrometer long multilamellar nanofibers from CHCl3 and two dimensional multilamellar nanosheets upon switching the solvent to MCH.

}, issn = {2050-7526}, doi = {10.1039/c3tc31015a}, author = {Narayan, Rekha and Asha, S. K.} } @article { ISI:000313985200009, title = {Solving the problem of negative populations in approximate accelerated stochastic simulations using the representative reaction approach}, journal = {Journal of Computational Chemistry}, volume = {34}, number = {5}, year = {2013}, month = {FEB}, pages = {394-404}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Methods based on the stochastic formulation of chemical kinetics have the potential to accurately reproduce the dynamical behavior of various biochemical systems of interest. However, the computational expense makes them impractical for the study of real systems. Attempts to render these methods practical have led to the development of accelerated methods, where the reaction numbers are modeled by Poisson random numbers. However, for certain systems, such methods give rise to physically unrealistic negative numbers for species populations. The methods which make use of binomial variables, in place of Poisson random numbers, have since become popular, and have been partially successful in addressing this problem. In this manuscript, the development of two new computational methods, based on the representative reaction approach (RRA), has been discussed. The new methods endeavor to solve the problem of negative numbers, by making use of tools like the stochastic simulation algorithm and the binomial method, in conjunction with the RRA. It is found that these newly developed methods perform better than other binomial methods used for stochastic simulations, in resolving the problem of negative populations. (C) 2012 Wiley Periodicals, Inc.

}, keywords = {approximate methods, binomial distributions, Gillespie algorithm, Kinetic Monte Carlo, Poisson distributions, representative reaction approach, Stochastic simulations}, issn = {0192-8651}, doi = {10.1002/jcc.23158}, author = {Kadam, Shantanu and Vanka, Kumar} } @article { ISI:000314193500042, title = {Spatial and temporal changes in the volatile profile of alphonso mango upon exogenous ethylene treatment}, journal = {Food Chemistry}, volume = {136}, number = {2}, year = {2013}, month = {JAN}, pages = {585-594}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Alphonso is a highly favoured and exported mango cultivar among the vast mango germplasm of India. Being a climacteric fruit, ethylene plays an important role in ripening of mango. For deeper understanding of effect of pre-climacteric ethylene treatment on volatile profiles of Alphonso mango, 26 volatiles were tracked through six ripening stages of pulp and skin of ethylene-treated and control Alphonso fruits. The study revealed accelerated ripening in terms of early appearance of ripening-specific compounds, lactones and mesifuran, upon ethylene treatment. While the level of lactones remained unaffected, the mesifuran level vastly increased upon ethylene treatment. Skin showed high terpene content while pulp had higher amount of lactones compared to skin. This work points towards involvement of ethylene as a natural hormone in the biosynthesis of lactones and furanones in naturally ripened fruits; whereas, an increase in the terpene level during ripening appears to be independent of ethylene. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Ethylene, Flavour, Mango, Pre-climacteric, Ripening, Volatiles}, issn = {0308-8146}, doi = {10.1016/j.foodchem.2012.08.029}, author = {Chidley, Hemangi G. and Kulkarni, Ram S. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article { ISI:000329331300031, title = {Spin transport and magnetic correlation parameters for graphene-like nanocarbon sheets doped with nitrogen}, journal = {Journal of Physical Chemistry C}, volume = {117}, number = {51}, year = {2013}, month = {DEC}, pages = {27105-27113}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Globally, graphene magnetism has captivated the attention of researchers in recent years. To obtain magnetic ordering, irregularities in the carbon network, like defects, adatoms, etc., are essential. Herein, we report on spin transport and magnetic correlations in graphene-like nanocarbon sheets (GNCs) that were doped with nitrogen by use of tetrakis(dimethylamino)ethylene (TDAE). The spin transport measurements, performed by electron spin resonance technique, showed that both spin-spin and spin-lattice relaxation times are increased by nitrogen doping. The magnetic correlations, measured on a vibrating sample magnetometer, showed that ordering parameters are reduced for nitrogen-loaded GNCs. Chemical analysis, carried out via electron spectroscopy, revealed that nitrogen atoms exchange couples electron-to-hole with the carbon network Analysis of I-V measurements showed that higher-order resistance is appreciably decreased for nitrogen-doped GNCs. The observed decrease is due to an increase in nonbonding states baying small local density. After doping, states in this region may be localized pi spin populated around the doped region. By and large, the approximately 20\% magnetization that exists in GNCs is found to be reduced to 5\% by introduction of nitrogen.

}, issn = {1932-7447}, doi = {10.1021/jp407262w}, author = {Alegaonkar, Ashwini P. and Kumar, Arvind and Patil, Sagar H. and Patil, Kashinath R. and Pardeshi, Satish K. and Alegaonkar, Prashant S.} } @article { ISI:000325762000061, title = {Stabilization of graphene quantum dots (GQDs) by encapsulation inside zeolitic imidazolate framework nanocrystals for photoluminescence tuning}, journal = {Nanoscale}, volume = {5}, number = {21}, year = {2013}, month = {SEP}, pages = {10556-10561}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Luminescent graphene quantum dots (GQDs) are encapsulated and stabilized in Zeolitic Imidazolate Framework (ZIF-8) nanocrystals. The GQDs are well confined due to the adsorption on the growing face of the ZIF-8 nanocrystals and have a profound effect on the shape of the nanocrystals from rhombic dodecahedron to spherical. Stabilizing GQDs inside the ZIF-8 nanocrystals results in tailoring of the photoluminescence emission (ca. 32 nm, bathochromic shift) of the GQD@ZIF-8 nanocrystal composite even after 3 months of aging under normal laboratory conditions. Also the water adsorption (at STP) capacity increased for the GQD@ ZIF-8 composite as compared to the pristine ZIF-8.

}, issn = {2040-3364}, doi = {10.1039/c3nr03511e}, author = {Biswal, Bishnu P. and Shinde, Dhanraj B. and Pillai, Vijayamohanan K. and Banerjee, Rahul} } @article { ISI:000327261700125, title = {Static and dynamic magnetic properties and effect of surface chemistry on the morphology and crystallinity of DyCrO3 nanoplatelets}, journal = {RSC Advances}, volume = {3}, number = {48}, year = {2013}, month = {OCT}, pages = {26427-26432}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this contribution, the structural and magnetic properties of DyCrO3 nanoplatelets, synthesized by a hydrolytic sol-gel method, have been investigated. The crystalline phase of DyCrO3 was attained at the decomposition temperature of 800 degrees C for citric acid and oxalic acid, respectively and their structural analysis indicates a distorted orthorhombic perovskite structure of the DyCrO3 nanoplatelets. The dc-magnetization curve shows the Neel temperature of similar to 144 and similar to 146 K for DyCrO3 nanoplatelets synthesized using citric acid (DCO (C)) and oxalic acid (DCO (O)), respectively. In addition, DCO (O) shows weak anomalies at similar to 22 and similar to 6 K in the zero-field-cooled and field-cooled magnetization curves. Below the Neel temperature, DCO (C) and DCO (O) exhibit cross-over from positive to negative magnetization at similar to 143 and similar to 145 K, respectively. This was attributed to a Dy3+-Cr3+ interaction, which resulted in a weak ferromagnetic coupling (seen as a small opening in the M-H curves). The low temperature transition observed at similar to 6 K can be assigned to the onset of Dy3+-Dy3+ antiferromagnetic interaction.

}, issn = {2046-2069}, doi = {10.1039/c3ra43088j}, author = {Gupta, Preeti and Bhargava, Richa and Das, Raja and Poddar, Pankaj} } @article { ISI:000313591300016, title = {Static and dynamic magnetic properties and interplay of Dy3+, Gd3+ and Mn3+ spins in orthorhombic DyMnO3 and GdMnO3 nanoparticles}, journal = {Journal of Physics D-Applied Physics}, volume = {46}, number = {4}, year = {2013}, month = {JAN}, pages = {045301}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Single-phase orthorhombic DyMnO3 and GdMnO3 nanoparticles in the size range 60-70 and 35-45 nm, respectively, were synthesized using a modified hydrothermal method. The magnetic property measurements of DyMnO3 nanocrystals show anomalies around similar to 43K (antiferromagnetic (AFM) coupling between Mn3+ spins) and at 7K in the form of a peak in the zero-field-cooled curve (AFM coupling between Dy3+ spins). Whereas, GdMnO3 undergoes a phase transition at similar to 42K from paramagnetic to an incommensurate-antiferromagnetic phase (ICAFM) followed by a second anomaly at similar to 22 K, which could be associated with the transition from ICAFM into a canted A-type AFM ordering of the Mn3+ spins. This transition is followed by a long-range ordering of the Gd3+ moments at 6K yielding the canting of the Gd3+ spins with a ferromagnetic (FM) component antiparallel to the FM moment of the canted Mn3+ spins. No anomaly near the Neel temperature of the Mn moments for both DyMnO3 and GdMnO3 nanoparticles was observed in ac magnetization which were observed in dc magnetization. The room temperature Raman spectra of DyMnO3 shows two most intense Raman modes at 480 and 609 cm(-1) which can be assigned to an antisymmetric Jahn-Teller stretching mode and a symmetric or breathing stretching mode, respectively, involving Mn-O bond stretching.

}, issn = {0022-3727}, doi = {10.1088/0022-3727/46/4/045301}, author = {Das, Raja and Jaiswal, Adhish and Poddar, Pankaj} } @article {42703, title = {Stepwise metal-ligand cooperation via a reversible aromatization-deconjugation-sequence in ruthenium complexes with a tetradentate phenanthroline-based ligand}, journal = {Chemistry - A European Journal}, volume = {19}, year = {2013}, month = {MAR}, pages = {3407{\textendash}3414}, abstract = {

The synthesis and reactivity of ruthenium complexes containing the tetradentate phenanthroline-based phosphine ligand 2,9-bis((di-tert-butylphosphino)methyl)-1,10-phenanthroline (PPhenP) is described. The hydrido chloro complex [RuHCl(PPhenP)] (2) undergoes facile dearomatization upon deprotonation of the benzylic position, to give [RuH(PPhenP-H)] (4). Addition of dihydrogen to 4 causes rearomatization of the phenanthroline moiety to trans-[Ru(H)2(PPhenP)] (5), followed by hydrogenation of an aromatic heterocycle in the ligand backbone, to give a new dearomatized and deconjugated complex [RuH(PPhenP*-H)] (6). These aromatization/deconjugation steps of the coordinated ligand were demonstrated to be reversible and operative in the dehydrogenation of primary alcohols without the need for a hydrogen acceptor. This aromatization/deconjugation sequence constitutes an unprecedented mode of a stepwise cooperation between the metal center and the coordinated ligand.

}, doi = {10.1002/chem.201204003}, author = {Langer, Robert and Fuchs, Ido and Vogt, Matthias and Balaraman, Ekambaram and Diskin-Posner, Yael and Shimon, Linda J. W. and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000316064700007, title = {Structural and catalytic properties of a novel vanadium containing solid core mesoporous silica shell catalysts for gas phase oxidation reaction}, journal = {Journal of Chemical Sciences}, volume = {125}, number = {1}, year = {2013}, month = {JAN}, pages = {63-69}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A novel vanadium containing solid core mesoporous silica shell catalyst was synthesized with different Si/V ratios by sol-gel method under neutral conditions. The synthesized materials were characterized by various techniques and gas phase diphenyl methane oxidation reaction. The mesoporosity combined with microporosity are formed by incorporation of octadecyltrichloro silane and triethylamine in the catalyst and it was found out from E-DAX and BET-surface area analysis. The material was found to be nanocrystalline. Vanadium is present as V4 + species in as-synthesized samples and convert to V5 + on calcination. Most of the vanadium is present in tetrahedral or square pyramidal environment. Incorporation of vanadium in silica framework was confirmed by Si-29 MAS NMR analysis. Among the various vanadium containing solid core mesoporous silica shell catalysts, the Si/V = 100 ratio exhibited maximum efficiency towards diphenyl methane to benzophenone gas phase reaction. The optimum condition required for maximum conversion and selectivity was found out from the catalytic studies.

}, keywords = {diphenylmethane, Gas phase oxidation, vanadium containing solid core mesoporous silica shell}, issn = {0974-3626}, doi = {10.1007/s12039-013-0365-2}, author = {Venkatathri, N. and Pillai, Vijayamohanan K. and Rajini, A. and Raju, M. Nooka and Reddy, I. A. K.} } @article { ISI:000313896900021, title = {Structural and dynamical properties of polyethylenimine in explicit water at different protonation states: a molecular dynamics study}, journal = {Soft Matter}, volume = {9}, number = {7}, year = {2013}, month = {JAN}, pages = {2269-2281}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

PEI is a pH sensitive polymer which acts as a proton sponge in acidic conditions. Despite many experimental and theoretical efforts, a fundamental understanding of the structure and dynamics of linear PEI chains on the atomistic level at different protonation states in dilute solutions remains a topic of discussion. This report analyses the structural properties of PEI at different protonation states, which are representative of different pH, using all atomistic molecular dynamic simulations. The structural properties revealed that the polymer at high pH (basic medium) is highly coiled, while at low pH (strong acidic conditions) the chains are elongated. We studied the dynamics and ordering of water molecules that are part of the solvation shells of the PEI chains at different protonation states. We observe that the water molecules are ordered along the polymer backbone for a completely protonated PEI chain (i.e. in the case of acidic pH) and hop to the neighbouring solvation shell. The residence time and the self-diffusion of water molecules in the solvation shells and their activation barriers were also calculated and analysed further. We concluded the study by correlating the solvation shell water dynamics and the structure of the PEI chain at different protonation states.

}, issn = {1744-683X}, doi = {10.1039/c2sm26290h}, author = {Choudhury, Chandan Kumar and Roy, Sudip} } @article { ISI:000325211000079, title = {Structural and logical analysis of a comprehensive hedgehog signaling pathway to identify alternative drug targets for glioma, colon and pancreatic cancer}, journal = {Plos One}, volume = {8}, number = {7}, year = {2013}, month = {JUL}, pages = {e69132}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Hedgehog is an evolutionarily conserved developmental pathway, widely implicated in controlling various cellular responses such as cellular proliferation and stem cell renewal in human and other organisms, through external stimuli. Aberrant activation of this pathway in human adult stem cell line may cause different types of cancers. Hence, targeting this pathway in cancer therapy has become indispensable, but the non availability of detailed molecular interactions, complex regulations by extra- and intra-cellular proteins and cross talks with other pathways pose a serious challenge to get a coherent understanding of this signaling pathway for making therapeutic strategy. This motivated us to perform a computational study of the pathway and to identify probable drug targets. In this work, from available databases and literature, we reconstructed a complete hedgehog pathway which reports the largest number of molecules and interactions to date. Using recently developed computational techniques, we further performed structural and logical analysis of this pathway. In structural analysis, the connectivity and centrality parameters were calculated to identify the important proteins from the network. To capture the regulations of the molecules, we developed a master Boolean model of all the interactions between the proteins and created different cancer scenarios, such as Glioma, Colon and Pancreatic. We performed perturbation analysis on these cancer conditions to identify the important and minimal combinations of proteins that can be used as drug targets. From our study we observed the under expressions of various oncoproteins in Hedgehog pathway while perturbing at a time the combinations of the proteins GLI1, GLI2 and SMO in Glioma; SMO, HFU, ULK3 and RAS in Colon cancer; SMO, HFU, ULK3, RAS and ERK12 in Pancreatic cancer. This reconstructed Hedgehog signaling pathway and the computational analysis for identifying new combinatory drug targets will be useful for future in-vitro and in-vivo analysis to control different cancers.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0069132}, author = {Chowdhury, Saikat and Pradhan, Rachana N. and Sarkar, Ram Rup} } @article { ISI:000326495000001, title = {Structural design of coordination polymers}, journal = {Crystengcomm}, volume = {15}, number = {45}, year = {2013}, month = {OCT}, pages = {9237-9238}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {1466-8033}, doi = {10.1039/c3ce90156d}, author = {Du, Miao and Banerjee, Rahul and Shimizu, George K. H.} } @article { ISI:000320332500027, title = {Structural isomerism leading to variable proton conductivity in indium(III) isophthalic acid based frameworks}, journal = {Chemical Communications}, volume = {49}, number = {55}, year = {2013}, month = {MAY}, pages = {6197-6199}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Proton conductivity has been studied thoroughly in two isomeric In(III)-isophthalate based MOFs. In-IA-2D-1 is capable of showing proton conductivity (3.4 x 10(-3) S cm(-1)) under humidified conditions (98\% RH), whereas In-IA-2D-2 can conduct protons (2.6 x 10(-5) S cm(-1)) under humidified as well as anhydrous conditions.

}, issn = {1359-7345}, doi = {10.1039/c3cc41939h}, author = {Panda, Tamas and Kundu, Tanay and Banerjee, Rahul} } @article { ISI:000323584400008, title = {Structural modelling of substrate binding and inhibition in penicillin V acylase from pectobacterium atrosepticum}, journal = {Biochemical and Biophysical Research Communications}, volume = {437}, number = {4}, year = {2013}, month = {AUG}, pages = {538-543}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Penicillin V acylases (PVAs) and bile salt hydrolases (BSHs) have considerable sequence and structural similarity; however, they vary significantly in their substrate specificity. We have identified a PVA from a Gram-negative organism, Pectobacterium atrosepticum (PaPVA) that turned out to be a remote homolog of the PVAs and BSHs reported earlier. Even though the active site residues were conserved in PaPVA it showed high specificity towards penV and interestingly the penV acylase activity was inhibited by bile salts. Comparative modelling and docking studies were carried out to understand the structural differences of the binding site that confer this characteristic property. We show that PaPVA exhibits significant differences in structure, which are in contrast to those of known PVAs and such enzymes from Gram-negative bacteria require further investigation. (C) 2013 Elsevier Inc. All rights reserved.

}, keywords = {Bile salt hydrolase, docking, Homology modelling, Inhibition, Pectobacterium, Penicillin acylase}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2013.06.109}, author = {Avinash, Vellore Sunder and Panigrahi, Priyabrata and Suresh, C. G. and Pundle, Archana V. and Ramasamy, Sureshkumar} } @article { ISI:000318634000040, title = {Structural variations of D-pi-A dyes influence on the photovoltaic performance of dye-sensitized solar cells}, journal = {RSC Advances}, volume = {3}, number = {21}, year = {2013}, month = {MAR}, pages = {7921-7927}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two new organic D-pi-A dyes containing identical pi-conjugated spacer and anchoring/acceptor moieties but different donor groups were designed and synthesized. These dyes containing didodecylcyclopentadithiophene (CPDT) as a spacer, cyanoacrylic acid as an acceptor and N-butyl-carbazole or N-butyl-phenothiazine moieties as electron donor groups are labelled as V4 and V11 dyes, respectively. The variation in the donor group of these two dyes, that influences the photophysical, electrochemical and photovoltaic parameters, was investigated. The highest photovoltaic conversion efficiency of 7.5\% was obtained with V4 dye at AM 1.5 G full sunlight intensity (100 mWcm(-2)). Comparison of phenothiazine donor dyes with two different pi-conjugated spacers, CPDT (V11) and vinyl thiophene (V7) containing devices shows that the V-oc of V7 dye is lower than that of V11 due to the downward shift of the conduction band edge. Transient photovoltage and electrochemical impedance spectroscopy measurements were performed to explain the differences in the PV parameters by varying the donors and/or spacer groups.

}, issn = {2046-2069}, doi = {10.1039/c3ra22249g}, author = {Marszalek, Magdalena and Nagane, Satyawan and Ichake, Amol and Humphry-Baker, Robin and Paul, Vincent and Zakeeruddin, Shaik M. and Gratzel, Michael} } @article { ISI:000314376100032, title = {Structural-functional insights of single and multi-domain capsicum annuum protease inhibitors}, journal = {Biochemical and Biophysical Research Communications}, volume = {430}, number = {3}, year = {2013}, month = {JAN}, pages = {1060-1065}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Pin-II protease inhibitors (PIs) are the focus of research interest because of their large structural-functional diversity and relevance in plant defense. Two representative Capsicum annuum PI genes (CanPI-15 and -7) comprising one and four inhibitory repeat domains, respectively, were expressed and recombinant proteins were characterized. beta-Sheet and unordered structure was found predominant in CanPI-15 while -7 also displayed the signatures of polyproline fold, as revealed by circular dichroism studies. Inhibition kinetics against bovine typsin indicated three times higher potency of CanPI-7 (K-i similar to 57 mu M) than -15 (similar to 184 mu M). Activity and structural stability of these CanPIs were revealed under various conditions of pH, temperature and denaturing agent. Structure prediction, docking studies with proteases and mass spectroscopy revealed the organization of multiple reactive site loops of multi domain PIs in space as well as the steric hindrances imposed while binding to proteases due to their close proximity. (C) 2012 Elsevier Inc. All rights reserved.

}, keywords = {CanPI, Circular dichroism, Disulfide bonding, Potato type-II protease inhibitors, Protein stability}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2012.12.038}, author = {Mishra, Manasi and Joshi, Rakesh S. and Gaikwad, Sushama M. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000324679400001, title = {Structure elucidation of beta-cyclodextrin-xylazine complex by a combination of quantitative H-1-H-1 ROESY and molecular dynamics studies}, journal = {Beilstein Journal of Organic Chemistry}, volume = {9}, year = {2013}, month = {SEP}, pages = {1917-1924}, publisher = {BEILSTEIN-INSTITUT}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {

The complexation of xylazine with beta-cyclodextrin was studied in aqueous medium. H-1 NMR titrations confirmed the formation of a 1:1 inclusion complex. A ROESY spectrum was recorded with long mixing time which contained TOCSY artifacts. It only confirmed the presence of xylazine aromatic ring in the beta-cyclodextrin cavity. No information regarding the mode of penetration, from the wide or narrow side, could be obtained. We calculated the peak intensity ratio from the inter-proton distances for the most stable conformations obtained by molecular dynamics studies in vacuum. The results show that highly accurate structural information can be deduced efficiently by the combined use of quantitative ROESY and molecular dynamics analysis. On the other hand, a ROESY spectrum with no spin diffusion can only compliment an averaged ensemble conformation obtained by molecular dynamics which is generally considered ambiguous.

}, keywords = {beta-cyclodextrin, inclusion complex, ROESY, simulation studies, xylazine}, issn = {1860-5397}, doi = {10.3762/bjoc.9.226}, author = {Ali, Syed Mashhood and Fatma, Kehkeshan and Dhokale, Snehal A.} } @article { ISI:000312452700005, title = {Structure-property relationship of different types of polyester industrial yarns}, journal = {Journal of the Textile Institute}, volume = {104}, number = {1}, year = {2013}, month = {JAN}, pages = {35-45}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Four major types of polyester industrial yarns (1000 Denier) which are used commercially were studied for their key structural parameters. An attempt has been made to establish a relationship between morphology and properties of these yarns. High tenacity (HT) polyester yarn has the highest birefringence, amorphous orientation, and long period but is relatively less crystalline. High shrinkage characteristic of HT polyester yarn can be accounted for its higher amorphous orientation. High modulus low shrinkage (HMLS) polyester yarn has higher crystallinity and crystal size compared to HT yarn. Fraction of tie molecules of these yarns has been calculated and found that low shrinkage (LS) and super low shrinkage (SLS) yarns have lesser tie molecules. These LS and SLS yarns are tailor-made to achieve lower shrinkage and at the same time maintaining a good level of tenacity. This is achieved with lower amorphous orientation in the final drawn yarn structure. Amorphous orientation was found to have stronger influence than any other structural parameter on the key yarn properties like modulus, tenacity, elongation, and shrinkage.

}, keywords = {modulus, orientation, polyester, shrinkage, structure}, issn = {0040-5000}, doi = {10.1080/00405000.2012.693277}, author = {Samui, Barun Kumar and Prakasan, Manikanda Priya and Ramesh, C. and Chakrabarty, Debabrata and Mukhopadhyay, R.} } @article { ISI:000313613800011, title = {Studies on fabrication, characterization, and metal extraction using metal chelating nonwoven nanofiber mats of poly(vinyl alcohol) and sodium alginate blends}, journal = {Polymer Engineering and Science}, volume = {53}, number = {2}, year = {2013}, month = {FEB}, pages = {321-333}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Poly(vinyl alcohol) and sodium alginate blends with and without the metal chelate, bis(2,4,4-trimethylpentyl)phosphinic acid were prepared in various compositions and fabricated to stable nanofibers and films to evaluate their efficacy for metals adsorption and desorption. Surface morphology of the nanofibers was characterized by scanning electron microscopy. The solution properties and variation in content of sodium alginate in the feed mixture have influenced morphology of nanofibers. However, influence of bis(2,4,4-trimethylpentyl)phosphinic acid was insignificant. The films and nanofibers were characterized using Fourier transform infrared spectroscopy, differential scanning calorimetry, thermo gravimetric analysis, and X-ray diffraction to understand compatibility between polymers, thermal stability, decomposition temperature, and variations in crystallinity. Metal adsorption studies for nanofiber mats comprising bis(2,4,4-trimethylpentyl)phosphinic acid were demonstrated using copper (II), cobalt(II), and nickel(II) salts. The nanofibers adsorbed more copper (363 mg/g) when compared with films (105 mg/g). Nanofiber mats immobilized with bis(2,4,4-trimethylpentyl)phosphinic acid adsorbed copper in greater magnitude (497 mg/g) than nanofiber mats without bis(2,4,4-trimethylpentyl)phosphinic acid (363 mg/g). However, adsorption of cobalt and nickel was very low to be detected. The metal adsorption and desorption studies were also confirmed by energy dispersive X-ray spectroscopy. POLYM. ENG. SCI., 2013. (c) 2012 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.23267}, author = {Rathna, G. V. N. and Birajdar, Mallinath S. and Bhagwani, Manish and Paul, V. L.} } @article {42641, title = {Study of grafting of polylactic acid and its copolymer with 12-hydroxy stearic acid on the surface of MWCNT by 13CCP/MAS and AFM}, journal = {International Journal of Research in Pharmacy and Chemistry}, volume = {3}, year = {2013}, month = {JAN}, abstract = {

The purpose of this study to study the structure property relationship of grafted material on MWCNT, the determination of NMR nuclei spin-lattice (T1) and spin-spin (T2) relaxation times suggest that the broaden signals are associated with diamagnetic species namely the nanotube attached polymer moieties. the AFM image of PLA oligomer grafted MWCNTs and topography patterns comprised of height from 0-250 nm and the side lengths ranging from 0.0 to 7.7 {\textmu}m. Surface patches are formed randomly distributed employing that the presence of side chain hanged at 12-postion in the copolymer grafted on MWCNTs.

}, issn = { 2231-2781}, author = {Pandey, Asutosh K. and Garnaik, Baijayantimala} } @article { ISI:000326207900011, title = {Study of hydration of sarcosine, formation of its zwitterion and their different oligomers in aqueous media: a Raman spectroscopic and theoretical study}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {116}, year = {2013}, month = {DEC}, pages = {74-83}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

{Raman spectra of the biologically important molecule sarcosine (SAR) (C3H7NO2) were studied experimentally in aqueous solution at different concentrations. These spectra were also calculated theoretically using density functional theory (DFT) at the B3LYP/6-31 1++G(d,p) level. Further, all the observed normal modes were assigned through potential energy distribution (PED). Geometry optimization of SAR produced its three conformers with slightly different energies. The lowest energy conformer of SAR was selected for a systematic solvation study wherein different numbers of water molecules (nW

}, keywords = {DFT calculations, Hydration, Oligomer, Raman spectra, Sarcosine, Zwitterion}, issn = {1386-1425}, doi = {10.1016/j.saa.2013.06.041}, author = {Sharma, Poornima and Singh, Dheeraj K. and Gupta, Vineet and Asthana, B. P. and Mishra, P. C. and Singh, Ranjan K.} } @article { ISI:000323177900012, title = {Study of interatomic coulombic decay of Ne(H2O)(n) (n=1,3) clusters using equation-of-motion coupled-cluster method}, journal = {Journal of Chemical Physics}, volume = {139}, number = {6}, year = {2013}, month = {AUG}, pages = {Article No. 064112}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Interatomic Coulombic decay (ICD) is an efficient and ultrafast radiationless decay mechanism which can be initiated by removal of an electron from the inner-valence shell of an atom or molecule. Generally, the ICD mechanism is prevailed in weakly bound clusters. A very promising approach, known as CAP/EOM-CC, consists of the combination of complex absorbing potential (CAP) with the equation-of-motion coupled-cluster (EOM-CC) method, is applied for the first time to study the nature of the ICD mechanism. We have applied this technique to determine the lifetime of an auto-ionized, inner-valence excited state of the NeH2O, Ne(H2O)(2), and Ne(H2O)(3) systems. The lifetime is found to be very short and decreases significantly with the number of neighboring water molecules. (C) 2013 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4817966}, author = {Ghosh, Aryya and Pal, Sourav and Vaval, Nayana} } @article { ISI:000325738700001, title = {Sugar furanoid trans-vicinal diacid as a gamma-turn inducer: synthesis and conformational study}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {40}, year = {2013}, month = {OCT}, pages = {6874-6878}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple method for the synthesis of a sugar furanoid trans vicinal diacid and its incorporation into the N-terminal tetrapeptide sequence (H-Phe-Trp-Lys-Thr-OH) to get glycopeptide 8 has been described. 2D NMR and MD simulation studies of 8 clearly show that the sugar diacid adopts a gamma-turn conformation towards the N-terminus.

}, issn = {1477-0520}, doi = {10.1039/c3ob41462k}, author = {Vangala, Madhuri and Dhokale, Snehal A. and Gawade, Rupesh L. and Pattuparambil, Rajamohanan R. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000327521300003, title = {Superior field emission properties of layered WS2-RGO nanocomposites}, journal = {Scientific Reports}, volume = {3}, year = {2013}, month = {NOV}, pages = {3282}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

We report here the field emission studies of a layered WS2-RGO composite at the base pressure of similar to 1 x 10(-8) mbar. The turn on field required to draw a field emission current density of 1 mu A/cm(2) is found to be 3.5, 2.3 and 2 V/mu m for WS2, RGO and the WS2-RGO composite respectively. The enhanced field emission behavior observed for the WS2-RGO nanocomposite is attributed to a high field enhancement factor of 2978, which is associated with the surface protrusions of the single-to-few layer thick sheets of the nanocomposite. The highest current density of similar to 800 mu A/cm(2) is drawn at an applied field of 4.1 V/mu m from a few layers of the WS2-RGO nanocomposite. Furthermore, first-principles density functional calculations suggest that the enhanced field emission may also be due to an overalp of the electronic structures of WS2 and RGO, where graphene-like states are dumped in the region of the WS2 fundamental gap.

}, issn = {2045-2322}, doi = {10.1038/srep03282}, author = {Rout, Chandra Sekhar and Joshi, Padmashree D. and Kashid, Ranjit V. and Joag, Dilip S. and More, Mahendra A. and Simbeck, Adam J. and Washington, Morris and Nayak, Saroj K. and Late, Dattatray J.} } @article { ISI:000325442600098, title = {Supplementation of medium with diammonium hydrogen phosphate enhanced the D-lactate dehydrogenase levels leading to increased D-lactic acid productivity}, journal = {Bioresource Technology}, volume = {146}, year = {2013}, month = {OCT}, pages = {736-739}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The production of D-lactic acid by Lactobacillus lactis RM2-24 was investigated using modified media to increase the efficiency of the fermentation process. The results indicated that the addition of 5 g/l peptone and 1 g/l (NH4)(2)HPO4 enhanced D-lactic acid production by 32\%, as compared to that obtained from non supplemented media, with a productivity of 3.0 g/l/h. Lactate dehydrogenase (LDH) expression profile in these different media was studied which resulted in appearance of additional LDH isoform produced by cells when they were grown in HSYE supplemented with (NH4)(2)HPO4. The additional LDH appears to be L-LDH contributing to production of L-lactic acid in the fermented broth. This is totally new information in the lactic acid fermentation and could be very useful to industries engaged in D-lactic acid production. (c) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {D(-) lactic acid production, Lactate dehydrogenase, Lactobacillus delbrueckii Uc-3, Lactobacillus lactis RM2-24}, issn = {0960-8524}, doi = {10.1016/j.biortech.2013.07.057}, author = {Singhvi, Mamata and Jadhav, Akanksha and Gokhale, Digambar V.} } @article { ISI:000328941200014, title = {Supramolecular nanoparticles that target phosphoinositide-3-kinase overcome insulin resistance and exert pronounced antitumor efficacy}, journal = {Cancer Research}, volume = {73}, number = {23}, year = {2013}, month = {DEC}, pages = {6987-6997}, publisher = {AMER ASSOC CANCER RESEARCH}, address = {615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA}, abstract = {

The centrality of phosphoinositide-3-kinase (PI3K) in cancer etiology is well established, but clinical translation of PI3K inhibitors has been limited by feedback signaling, suboptimal intratumoral concentration, and an insulin resistance {\textquoteleft}{\textquoteleft}class effect.{\textquoteright}{\textquoteright} This study was designed to explore the use of supramolecular nanochemistry for targeting PI3K to enhance antitumor efficacy and potentially overcome these limitations. PI3K inhibitor structures were rationally modified using a cholesterol-based derivative, facilitating supramolecular nanoassembly with L-alpha-phosphatidylcholine and DSPE-PEG [1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-[amino(polythylen e glycol)]. The supramolecular nanoparticles (SNP) that were assembled were physicochemically characterized and functionally evaluated in vitro. Antitumor efficacy was quantified in vivo using 4T1 breast cancer and K-Ras(LSL/+)/Pten(fl/fl) ovarian cancer models, with effects on glucose homeostasis evaluated using an insulin sensitivity test. The use of PI103 and PI828 as surrogate molecules to engineer the SNPs highlighted the need to keep design principles in perspective; specifically, potency of the active molecule and the linker chemistry were critical principles for efficacy, similar to antibody-drug conjugates. We found that the SNPs exerted a temporally sustained inhibition of phosphorylation of Akt, mTOR, S6K, and 4EBP in vivo. These effects were associated with increased antitumor efficacy and survival as compared with PI103 and PI828. Efficacy was further increased by decorating the nanoparticle surface with tumor-homing peptides. Notably, the use of SNPs abrogated the insulin resistance that has been associated widely with other PI3K inhibitors. This study provides a preclinical foundation for the use of supramolecular nanochemistry to overcome current challenges associated with PI3K inhibitors, offering a paradigm for extension to other molecularly targeted therapeutics being explored for cancer treatment. (C)2013 AACR.

}, issn = {0008-5472}, doi = {10.1158/0008-5472.CAN-12-4477}, author = {Kulkarni, Ashish A. and Roy, Bhaskar and Rao, Poornima S. and Wyant, Gregory A. and Mahmoud, Ayaat and Ramachandran, Madhumitha and Sengupta, Poulomi and Goldman, Aaron and Kotamraju, Venkata Ramana and Basu, Sudipta and Mashelkar, Raghunath Anant and Ruoslahti, Erkki and Dinulescu, Daniela M. and Sengupta, Shiladitya} } @article { ISI:000313513400048, title = {Surface chemistry and growth mechanism of highly oriented, single crystalline TiO2 nanorods on transparent conducting oxide coated glass substrates}, journal = {RSC Advances}, volume = {3}, number = {6}, year = {2013}, month = {NOV}, pages = {1933-1940}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The fabrication of one-dimensional (1D) rods or wires of titania in desired crystalline facets is quite exciting due to unique optoelectronic properties. The single crystalline, oriented nanorods directly grown on transparent conducting oxide (TCO) substrates are finding a lot of interest in solar photovoltaics and several other optoelectronic devices due to enhanced electron transport and lower exciton recombination rates. However, the growth of desired crystalline facets of highly oriented, single crystalline nanorods on different substrates and understanding the interplay between the surface chemistry and growth mechanism still remain a non-trivial and challenging task. Here, for the first time, the kinetically controlled growth of the (310) facet of TiO2 nanorods on fluorine-doped tin oxide (FTO) coated glass substrate has been reported which is in contrast to the previously reported (002) faceted TiO2 nanorods. In addition to this, the growth of (110) facet TiO2 nanorods using amorphous fluorine doped silicon oxide (FSO) as a substrate is also demonstrated. In this paper, it is shown that two different faceted TiO2 nanorods can be synthesized following same synthetic condition by varying only the material properties of the substrate. To investigate the role of substrate chemistry on the morphology and single crystallinity of TiO2 nanorods, electron microscopy, XPS and contact angle measurements have been done. The results clearly indicate an important link between the surface chemistry and morphology of TiO2 nanorods. It can be assumed that there is a role of OH- and water groups which are responsible for the growth of plane (110) which has less surface energy. The observation of (310) facet is quite surprising and can be explained based on FTO crystallinity. It is possible to tune the diameter of the titania nanorods by further coating the FTO substrate with a thin gold layer due to increase in the hydrophilicity of the substrate. Finally, a light to electricity conversion efficiency of 2.5\% could be achieved by using vertically grown titania nanorods on FTO as the photoanode in a dye sensitized solar cell (DSSC).

}, issn = {2046-2069}, doi = {10.1039/c2ra21516k}, author = {Sadhu, Subha and Jaiswal, Adhish and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000328443300015, title = {Surface induced collapse of A beta(1-42) with the F19A replacement following adsorption on a single walled carbon nanotube}, journal = {Biophysical Chemistry}, volume = {184}, year = {2013}, month = {DEC}, pages = {108-115}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Spontaneous adsorption of the A beta peptide on the surface of a single-walled carbon nanotube, resulting in the prevention of its intrinsic propensity to form collapsed states, could be a plausible means to hinder the peptide{\textquoteright}s initial nucleation and self-assembly. We report here the effects of sharply reducing both aromatic and hydrophobic character within the peptide{\textquoteright}s central hydrophobic core on its free and surface behavior. In such an altered peptide, complete surface adsorption is found to induce, rather than prevent, the adsorbed peptide{\textquoteright}s collapse. The weakened surface interactions of the central hydrophobic core allow its greater translational mobility on the surface, thereby facilitating interactions that lead to compaction. Both the adsorption and the subsequent collapse are accompanied by a loss of surface hydration in the modified peptide. We further find that such a two-step dewetting leads to hydration levels comparable to that obtained after compaction of the free peptide. These insights may be leveraged for designing molecular surfaces for disrupting intrinsic A beta behavior. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Adsorption, Amyloid beta peptide, carbon nanotube, Lateral mobility, molecular dynamics simulation, Surface induced collapse}, issn = {0301-4622}, doi = {10.1016/j.bpc.2013.09.008}, author = {Jana, Asis K. and Sengupta, Neelanjana} } @article { ISI:000326056600079, title = {Surfactant-free synthesis of anisotropic gold nanostructures: can dicarboxylic acids alone act as shape directing agents?}, journal = {RSC Advances}, volume = {3}, number = {44}, year = {2013}, month = {AUG}, pages = {21641-21647}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The present study describes the synthesis of gold nanostructures using different dicarboxylic (viz. oxalic, malonic, succinic, glutaric and adipic) acids as reducing agents in the absence of any other additives or surfactants. Various anisotropic structures such as kites, tadpoles, triangular/hexagonal plates, and twinned particles were seen to evolve depending on the molar ratio of dicarboxylic acid to HAuCl4 used. It was also demonstrated that gold nanostructure formation is hampered as the chain length/distance between two carboxylic acid groups increases. Among the various structures obtained the kite like structures displayed the largest surface enhanced Raman enhancement factors.

}, issn = {2046-2069}, doi = {10.1039/c3ra43974g}, author = {Kumar, D. V. Ravi and Kumavat, S. R. and Chamundeswari, V. N. and Patra, Partha Pratim and Kulkarni, A. A. and Bhagavatula L. V. Prasad} } @article { ISI:000326360300001, title = {Sustainable materials based on aliphatic polyesters: teaching old chemistry some new tricks}, journal = {Current Science}, volume = {105}, number = {7}, year = {2013}, month = {OCT}, pages = {879-880}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Sivaram, S.} } @article { ISI:000318332300017, title = {Suzuki-Miyaura cross-coupling reaction between aryl halides and phenylboronic acids over gold nano-particles supported on MgO (or CaO) and other metal oxides}, journal = {Journal of Catalysis}, volume = {301}, year = {2013}, month = {MAY}, pages = {134-140}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Gold nano-particles-supported alkaline earth metal oxides, particularly MgO or CaO, show high catalytic activity in the Suzuki-Miyaura cross-coupling reaction in the presence of K2CO3 and DMF (as a solvent). The catalytic activity is strongly influenced by the nature or type of metal oxide support (viz, alkaline earth oxide, Group IIIA metal oxide, transition metal oxide, or rare earth oxide actinide oxide). It is also strongly influenced by the nature of aryl halide (aryl iodide, bromide, chloride, or fluoride), amount of K2CO3 in the reaction mixture and catalyst calcination temperature. Influence of reaction parameters viz, temperature and time and different substituents in aryl halides and/or phenylboronic acids on the biphenyl product yield in the reaction over Au/MgO catalyst has also been investigated. The catalyst showed excellent reusability in the reaction. Moreover, it is ligand-free and also has much lower cost than the commonly used homogeneous and heterogeneous Pd catalysts. (C) 2013 Elsevier Inc. All rights reserved.

}, keywords = {Aryl halides, Au/MgO (or CaO) catalyst, Biphenyls, Gold nano-particles, phenylboronic acids, Suzuki-Miyaura coupling reaction}, issn = {0021-9517}, doi = {10.1016/j.jcat.2013.01.012}, author = {Dumbre, Deepa K. and Yadav, P. N. and Bhargava, Suresh Kumar and Choudhary, Vasant R.} } @article { ISI:000326010300003, title = {Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {41}, year = {2013}, month = {NOV}, pages = {7072-7075}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the folding propensity of a hetero-foldamer motif featuring proline (Pro) and anthranilic acid (Ant) residues in a 1:2:1 (alpha: beta: alpha) constitutional ratio. Structural investigations unequivocally suggest that the hydrogen-bonding network of this foldamer motif can be switched between 9-membered and 6-membered by modulating the backbone chirality and constitutional ratio of the amino acid residues.

}, issn = {1477-0520}, doi = {10.1039/c3ob41369a}, author = {Ramesh, Veera V. E. and Vijayadas, Kuruppanthara N. and Dhokale, Snehal A. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000328177300017, title = {Synergetic effect of combination of AOP{\textquoteright}s (hydrodynamic cavitation and H2O2) on the degradation of neonicotinoid class of insecticide}, journal = {Journal of Hazardous Materials}, volume = {261}, year = {2013}, month = {OCT}, pages = {139-147}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In the present work, degradation of imidacloprid (neonicotinoid class of insecticide) in aqueous solution has been systematically investigated using hydrodynamic cavitation and combination of hydrodynamic cavitation (HC) and H2O2. Initially, effect of different operating parameters such as inlet pressure to the cavitating device (5-20 bar) and operating pH (2-7.5) has been investigated. Optimization of process parameters was followed by the study of effect of combination of HC and H2O2 process on the rate of degradation of imidacloprid. Significant enhancement in the rate of degradation of imidacloprid has been observed using HC+H2O2 process which lead to a complete degradation of imidacloprid in 45 min of operation using optimal molar ratio of imidacloprid:H2O2 as 1:40. Substantial synergetic effect has been observed using HC+H2O2 process which confer the synergetic coefficient of 22.79. An attempt has been made to investigate and compare the energy efficiency and extent of mineralization of individual and combined processes applied in the present work. Identification of the byproducts formed during degradation of imidacloprid has also been done using LC-MS analysis. The present work has established a fact that hydrodynamic cavitation in combination with H2O2 can be effectively used for degradation of imidacloprid. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Advanced oxidation processes, Hydrodynamic cavitation, Imidacloprid, Synergetic coefficient, Venturi}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2013.07.012}, author = {Raut-Jadhav, Sunita and Saharan, Virendra Kumar and Pinjari, Dipak and Sonawane, Shirish and Saini, Daulat and Pandit, Aniruddha} } @article { ISI:000314475700026, title = {Synergistic action of flavin containing NADH dependant azoreductase and cytochrome P450 monooxygenase in azoaromatic mineralization}, journal = {RSC Advances}, volume = {3}, number = {9}, year = {2013}, month = {DEC}, pages = {3062-3070}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An alkaliphilic strain Bacillus lentus Bl377 was isolated from contaminated soil of the textile area of Solapur, India. The strain was able to degrade almost 98\% of recalcitrant azoic compounds by a mutually regulated process of azoreductase and a monooxygenase system. An enzyme activity study and a periodical carbon monoxide (CO) binding spectra study on a UV-visible spectrophotometer revealed that the intermediate amines formed by typical azoreduction (N=N cleavage), subsequently underwent hydroxylation by the cytochrome P450 monooxygenase (CYP450) system. Azoreductase was purified by chromatographic techniques and characterization by MALDI-TOF substantiated its identity as FMN containing NADH dependent azoreductase of 32 kDa in size. Surprisingly, purified azoreductase showed the highest activity at 80 degrees C and pH 8.0. An increase in the activity of superoxide dismutase after decolorization confirmed the signature of oxidative stress and its involvement in the dismutation of reactive metabolites. Intermediate metabolite analysis by HPLC, GC-MS and FTIR and the removal of total organic carbon (TOC) suggested the azoaromatics{\textquoteright} degradation leads to mineralization via a TCA cycle.

}, issn = {2046-2069}, doi = {10.1039/c2ra21389c}, author = {Oturkar, Chetan C. and Othman, Munif A. and Kulkarni, Mahesh J. and Madamwar, Datta and Gawai, Kachru R.} } @article { ISI:000317285200007, title = {Synergistic mechanical response of Nylon 6/Trogamid (R) T blends}, journal = {Journal of Applied Polymer Science}, volume = {129}, number = {1}, year = {2013}, month = {JUL}, pages = {65-72}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Blends of semicrystalline Nylon 6 with a varying ratios of amorphous Nylon are studied for their morphological, thermal, dielectric, and mechanical behavior. Thermal analysis indicated a compositional dependant decrease in the melting and crystallization temperatures of Nylon 6. The blends exhibited a single compositional dependant glass transition temperature in dynamic mechanical thermal analysis and dielectrical relaxation spectroscopy over entire mixing ratio indicating miscibility between the blend components. The values of flexural modulus and tensile modulus of the blends are found to increase without significant loss in the impact properties. The water absorption of the blends is also lower than the values calculated by rule of mixtures. The observed synergistic behavior of the mechanical properties of the blends is indicative of presence of strong interactions in the blends components. (c) 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013

}, keywords = {blends, dielectric properties, mechanical properties, polyamides, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.38693}, author = {Ridhore, Amol and Jog, Jyoti Prakash} } @article { ISI:000320979500046, title = {Syntheses and determination of absolute configurations and biological activities of the enantiomers of the longtailed mealybug pheromone}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {12}, year = {2013}, month = {JUN}, pages = {6281-6284}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Preparation and assignment of absolute configurations to both enantiomers of the sex pheromone of the longtailed mealybug, an irregular monoterpenoid with extraordinary biological activity, has been completed. Comparison of the biological activities of both enantiomers and the racemate in field trials showed that the (S)-(+)-enantiomer was highly attractive to male mealybugs, strongly suggesting that female longtailed mealybugs produce this enantiomer. The (R)-(-)-enantiomer was benign, being neither attractive nor inhibitory.

}, issn = {0022-3263}, doi = {10.1021/jo400491n}, author = {Ramesh, Remya and Swaroop, Pandrangi Siva and Gonnade, Rajesh G. and Thirupath, Choppari and Waterworth, Rebeccah A. and Millar, Jocelyn G. and Reddy, D. Srinivasa} } @article { ISI:000329539200015, title = {Synthesis and antimicrobial activity of novel oxysterols from lanosterol}, journal = {Tetrahedron}, volume = {69}, number = {52}, year = {2013}, month = {DEC}, pages = {11155-11163}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Chemically diverse oxysterols and their synthetic manipulations were carried out from variety of Delta(8(9)_) lanosterol derivatives and evaluated for their in vitro antimicrobial activities. Most of the synthesized oxysterols exhibited significant antifungal activity against the tested strains. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Allylic oxidation, antibacterial activity, Antifungal activity, Dihydroxylation, Oxygenated steroids}, issn = {0040-4020}, doi = {10.1016/j.tet.2013.10.090}, author = {Shingate, Bapurao B. and Hazra, Braja G. and Salunke, Deepak B. and Pore, Vandana S. and Shirazi, Fazal and Deshpande, Mukund V.} } @article { ISI:000314693400052, title = {Synthesis and antitubercular activity of amino alcohol fused spirochromone conjugates}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {23}, number = {5}, year = {2013}, month = {MAR}, pages = {1416-1419}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of 21 new amino alcohol fused spirochromone conjugates have been synthesized, characterized with analytical data and evaluated their antimycobacterial activity against Mycobacterium tuberculosis (virulent strain H37Rv) in vitro. Some of the compounds exerted significant inhibition, in particular, compound 4f found to be the most potent derivative exhibiting MIC = 3.13 mu g/mL. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Amino alcohol, Antitubercular activity, Mycobacterium tuberculosis, Spirochromones}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2012.12.073}, author = {Mujahid, Mohammad and Gonnade, Rajesh G. and Yogeeswari, P. and Sriram, D. and Muthukrishnan, Murugan} } @article { ISI:000317596800004, title = {Synthesis and catalytic activity of monodisperse gold-mesoporous silica core-shell nanocatalysts}, journal = {Catalysis Science \& Technology}, volume = {3}, number = {5}, year = {2013}, month = {FEB}, pages = {1190-1193}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Core-shell nanostructures, where gold nanoparticles of sub 10 nm size are successfully encapsulated inside porous silica spheres, have been prepared. The detailed characterization of the catalyst shows a high surface area and good mesoporosity. The sinter resistance of the catalyst under repeated cycles of the CO oxidation reaction is observed.

}, issn = {2044-4753}, doi = {10.1039/c3cy20772b}, author = {Sekhar, A. C. Sunil and Meera, C. J. and Kottavarithottil Ziyad and Gopinath, Chinnakonda S. and Vinod, C. P.} } @article { ISI:000319610100003, title = {Synthesis and characterization of poly(ether ether ketone)s and poly(ether ether ketone ketone) s containing pendant biphenyl and naphthyl groups}, journal = {High Performance Polymers}, volume = {25}, number = {3}, year = {2013}, month = {MAY}, pages = {260-267}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

New poly(ether ether ketone)s (PEEKs) and poly(ether ether ketone ketone)s (PEEKKs) containing pendant biphenyl and naphthyl groups were synthesized by nucleophilic substitution reaction of each of the four bisphenols viz., 1-(4- biphenylyl)- 1,1- bis(4- hydroxyphenyl) ethane, 1-(4- biphenylyl)- 1,1- bis(3- methyl, 4- hydroxyphenyl) ethane, 4,4{\textquoteright}-[1-(2- naphthalenyl) ethylidene] bis-phenol and 4,4{\textquoteright}-[1-(2- naphthalenyl) ethylidene] bis-3-methylphenol with 4,4{\textquoteright}- difluorobenzophenone and 1,3- bis(4- fluorobenzoyl) benzene in a solvent mixture of N,N-dimethylacetamide and toluene in the presence of anhydrous potassium carbonate. Inherent viscosities and number-average molecular weights of polymers were in the range of 0.42-0.86 dl/g and 2.40-7.55 x 10(4), respectively. PEEKs and PEEKKs were amorphous in nature and were readily soluble in a wide range of organic solvents and could be cast into flexible and tough films from chloroform solution. Glass transition temperature of PEEKs and PEEKKs were in the range of 180 degrees C -200 degrees C. T-10 values of PEEKs and PEEKKs were in the range of 424 degrees C-512 degrees C in nitrogen atmosphere, indicating their good thermal stability.

}, keywords = {biphenyl, bisphenol, naphthyl, poly(ether ether ketone ketone)s, poly(ether ether ketone)s, Polycondensation, Thermal properties}, issn = {0954-0083}, doi = {10.1177/0954008312462731}, author = {Honkhambe, Pandurang N. and Dhamdhere, Neelam A. and Tawade, Bhausaheb V. and Salunkhe, Manikrao M. and Wadgaonkar, Prakash P.} } @article { ISI:000326056600042, title = {Synthesis and electrochemical performance of a single walled carbon nanohorn-Fe3O4 nanocomposite supercapacitor electrode}, journal = {RSC Advances}, volume = {3}, number = {44}, year = {2013}, month = {AUG}, pages = {21390-21393}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new Fe3O4-SWCNH nanocomposite was synthesized as an electrode material for supercapacitors. The nanocomposite exhibited a high specific capacitance of 377 F g(-1) and delivered a stable discharge capacitance at a current density of 1 A g(-1) over 1000 cycles between 0 and 1.2 V.

}, issn = {2046-2069}, doi = {10.1039/c3ra43079k}, author = {Deshmukh, Ashvini B. and Shelke, Manjusha V.} } @article { ISI:000323401200004, title = {Synthesis and fluorescence properties of a full set of extended RNA base analogues}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {52}, number = {8-9, SI}, year = {2013}, month = {AUG}, pages = {1004-1013}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

The synthesis and photophysical characterization of a complete set of fluorescent RNA base analogues derived by conjugating benzofuran moiety at the 5- and 8-positions of pyrimidine and purine bases, respectively, are described. Benzofuran-modified pyrimidine and purine ribonucleoside analogues exhibit Contrasting fluorescence properties. Pyrimidine analogues are moderately emissive with emission maximum in the visible region, and importantly, are highly sensitive to solvent polarity and Viscosity changes. On the other hand, purine analogues are highly emissive and are minimally affected by solvation. and viscosity effects. Thorough photophysical analysis reveals that the pyrimidine and purine ribonucleosides displaying distinct and-probe-like fluorescence properties could be useful in designing nucleic acid based biophysical tools to study nucleic acid structure and function.

}, keywords = {Environment sensitive probes, Fluorescence probes, Fluorescence spectroscopy, Nucleic acids, Ribonucleoside analogues}, issn = {0376-4710}, author = {Sabale, Pramod M. and Nuthanakanti, Ashok and Srivatsan, Seergazhi G.} } @article { ISI:000323468500032, title = {Synthesis and molecular structure of a zinc complex of the vitamin K-3 analogue phthiocol}, journal = {Journal of Molecular Structure}, volume = {1048}, year = {2013}, month = {SEP}, pages = {223-229}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The complex [Zn(phthiocol)(2)(H2O)(2)]; 1, where phthiocol is 2-hydroxy-3-methyl-1,4-naphthoquinone, has been synthesized and characterized by elemental analysis, FT-IR, H-1 NMR, UV-vis spectroscopy, thermogravimetric (TG) analysis, electrochemical and single crystal X-ray diffraction studies. The v(C=O) stretch shifts to lower frequencies upon complexation of phthiocol to Zn2+. H-1 NMR spectra show an upfield shift of the benzenoid ring protons in 1. There is a bathochromic shift of the LMCT band in the UV-vis spectra of 1. Single crystal X-ray structure of 1 show distorted octahedral geometry around Zn2+. Two phthiocol ligands are in plane with the metal, while water molecules are trans to this plane. Coordination of deprotonated phthiocol ligands is {\textquoteleft}trans, trans{\textquoteright} to Zn2+. Intra as well as intermolecular interactions are observed in 1. Molecules of 1 show three dimensional network through C-H center dot center dot center dot O and O-H center dot center dot center dot O interactions. Additional anodic peaks are observed in cyclic voltammogram of phthiocol ligand due to oxidation of reduced species formed during reduction. One-electron reduction of 1 is shown to be reversible and DFT studies define this redox event as ligand-centered. (c) 2013 Elsevier B.V. All rights reserved.

}, keywords = {hydrogen bonding, Naphthoquinone, Phthiocol, Trans coordination, Vitamin K-3, Zinc complex}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2013.05.057}, author = {Kathawate, Laxmi and Sproules, Stephen and Pawar, Omkar and Markad, Ganesh and Haram, Santosh K. and Puranik, Vedavati G. and Salunke-Gawali, Sunita} } @article { ISI:000321231700008, title = {Synthesis and properties of 2 {\textquoteleft}-O-[R- and S-(2-amino-3-methoxy)propyl] (R-AMP and S-AMP) nucleic acids}, journal = {Tetrahedron}, volume = {69}, number = {31}, year = {2013}, month = {AUG}, pages = {6404-6408}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Substitution at 2{\textquoteright}-position by either amino- or methoxy-pendant groups of the antisense oligonucleotides (AONs) is known to enhance their therapeutic value. A simple modification is described here in which we introduce both these groups in the form of enantiospecific tethers at 2{\textquoteright}-position. Practical synthesis of modified nucleosides using natural L-serine, en route to R-AMP- and S-AMP-AONs is presented. Such tethered ONs formed stable DNA:RNA duplexes and the stability was found to be marginally better than the methoxyethyl/methoxypropyl-substituted MOE/MOP-AONs. The stereochemistry of the tether effectively differentiated the hydrolytic cleavage of AONs and the R-AMP-AON was three times more stable than the S-AMP-AONs after 4 h. In comparison, the MOE- or MOP-AONs were almost completely digested by SVPD after 1 h. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Antisense therapeutics, MOE-AONs, Positively charged ON analogues}, issn = {0040-4020}, doi = {10.1016/j.tet.2013.05.104}, author = {Kotikam, Venubabu and Kumar, Vaijayanti A.} } @article { ISI:000319185100004, title = {Synthesis and self-assembly of amphiphilic homoglycopolypeptide}, journal = {Langmuir}, volume = {29}, number = {19}, year = {2013}, month = {MAY}, pages = {5659-5667}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The synthesis of the amphiphilic homoglycopolypeptide was carried out by a combination of NCA polymerization and click chemistry to yield a well-defined Polypeptide having an amphiphilic carbohydrate on its side chain. The amphiphilicity of the carbohydrate was achieved by incorporation of an alkyl chain, at the C-6 position of the carbohydrate thus also rendering the homoglycopolypeptide amphiphilic. The homoglycopolypeptide formed multimicellar aggregates in water above a critical concentration of 0.9 mu M due to phase separation. The multimicellar aggregates were characterized by DLS, TEM, and AFM. It is proposed that hydrophobic interactions of the aliphatic chains at the 6-position of the sugar moieties drives the assembly of these rod-like homoglycopolypeptide into large;spherical aggregates. These multimicellar aggregates encapsulate both hydrophilic as well as hydrophobic dye as was confirmed by confocal microscopy. finally, amphiphilic random polypeptides containing 10\% and 20\% alpha-D-mannose in addition to glucose containing a, hydrophobic alkyl chain at its 6 position were synthesized by our methodology, and these polymers Were also found to assemble into spherical nanostructures. The spherical assemblies Of amphiphilic random glycopolypeptides containing 10\% and 20\% mannose were found to be surface bioactive and were found, to interact with the lectin Con-A.

}, issn = {0743-7463}, doi = {10.1021/la400144t}, author = {Dhaware, Vinita and Shaikh, Ashif Y. and Kar, Mrityunjoy and Hotha, Srinivas and Sen Gupta, Sayam} } @article { ISI:000312946200007, title = {Synthesis and structural studies of S-type/N-type-locked/frozen nucleoside analogues and their incorporation in RNA-selective, nuclease resistant 2 {\textquoteleft}-5 {\textquoteleft} linked oligonucleotides}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {5}, year = {2013}, month = {NOV}, pages = {746-757}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

2{\textquoteright}-endo locked or frozen (S-type)/3{\textquoteright}-endo locked or frozen (N-type) nucleoside analogues were synthesized. Conformational analysis based on (3)J(HH) and NOE measurements is presented which is further confirmed by X-ray crystal structural studies. 2{\textquoteright}-5{\textquoteright} isoDNA oligonucleotides (ON) were synthesized using these modified nucleoside analogues and UV-T-m studies of the resultant 2{\textquoteright}-5{\textquoteright} isoDNA : RNA duplexes reflect the site-and sequence-dependent effects and confirm that the S-type sugar conformations were preferred over the N-type sugar geometry in such duplexes.

}, issn = {1477-0520}, doi = {10.1039/c2ob26762d}, author = {Erande, Namrata D. and Gunjal, Anita D. and Fernandes, Moneesha and Gonnade, Rajesh G. and Kumar, Vaijayanti A.} } @article { ISI:000322938100026, title = {Synthesis and X-ray single crystal structure of a cadmium(II) acetophenone thiosemicarbazone complex and its use as a single-source precursor for the preparation of CdS nanocrystallites and thin films}, journal = {Polyhedron}, volume = {61}, year = {2013}, month = {SEP}, pages = {195-201}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

{A cadmium(II) acetophenone thiosemicarbazone complex has been prepared and characterized by elemental analysis, infrared and nuclear magnetic resonance (H-1 and C-13{H-1}) spectroscopic techniques. Its single crystal structure has also been determined. The compound is found to be monoclinic, space group C2/c, with a = 12.1020(3) angstrom

}, keywords = {CdS, Nanocrystallites, Single source precursor, Thin films, Thiosemicarbazone complex}, issn = {0277-5387}, doi = {10.1016/j.poly.2013.05.052}, author = {Palve, Anil M. and Joshi, Pranaya V. and Puranik, Vedavati G. and Garje, Shivram S.} } @article { ISI:000319721200044, title = {Synthesis of 3,5-Bis(acrylaldehyde) boron-dipyrromethene and application in detection of cysteine and homocysteine in living cells}, journal = {Journal Of Organic Chemistry}, volume = {78}, number = {10}, year = {2013}, month = {MAY}, pages = {5056-5060}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Synthesis, characterization, and spectral and electrochemical properties of 3,5-bis(acrylaldehyde) BODIPY are described. The compound exhibited higher selectivity toward cysteine/homocysteine than toward other amino acids and thiol-containing compounds as shown by absorption and emission titration experiments and by experiments in living cells.

}, issn = {0022-3263}, doi = {10.1021/jo4004597}, author = {Madhu, Sheri and Gonnade, Rajesh G. and Ravikanth, Mangalampalli} } @article { ISI:000321490900014, title = {Synthesis of a sex pheromone of the longtailed mealybug, pseudococcus longispinus}, journal = {Synthesis-Stuttgart}, volume = {45}, number = {12}, year = {2013}, month = {JUN}, pages = {1689-1692}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The synthesis of a recently identified and highly active sex pheromone of the longtailed mealybug, Pseudococcus longispinus is reported. A concise synthetic route, use of the under explored Meyer-Schuster rearrangement, Claisen rearrangement, and ring-closing metathesis are the highlights of this work.

}, keywords = {Acylation, Metathesis, pheromones, rearrangement, Total synthesis}, issn = {0039-7881}, doi = {10.1055/s-0033-1338450}, author = {Kurhade, Suresh E. and Siddaiah, V. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000325763700047, title = {Synthesis of Ag-glyconanoparticles using C-glycosides, their lectin binding studies and antibacterial activity}, journal = {New Journal of Chemistry}, volume = {37}, number = {11}, year = {2013}, month = {AUG}, pages = {3716-3720}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two 12-C-glycosyl dodecanoic acids, namely, 1-(alpha-D-mannopyranosyl)-12-dodecanoic acid and 1-(alpha-D-glucopyranosyl)-12-dodecanoic acid were synthesized. Their ability to act as reducing and capping agents for the synthesis of water re-dispersible silver nanoparticles is displayed. These Ag C-glycosyl nanoparticles were later utilized to investigate the carbohydrate-lectin interactions. Furthermore, the specificity of mannoside binding to the surface of the Gram negative bacterium Escherichia coli has been utilized to demonstrate the enhanced antibacterial activity of Ag-C-mannosyl nanoparticles towards this bacterium as compared to Ag-C-glycosyl nanoparticles.

}, issn = {1144-0546}, doi = {10.1039/c3nj00496a}, author = {Ramtenki, Vilas and Raju, D. and Mehta, Urmil J. and Ramana, C. V. and Bhagavatula L. V. Prasad} } @article { ISI:000315060600030, title = {Synthesis of all four nucleoside-based beta-amino acids as protected precursors for the synthesis of polyamide-DNA with alternating alpha-amino acid and nucleoside-beta-amino acids}, journal = {Tetrahedron}, volume = {69}, number = {3}, year = {2013}, month = {JAN}, pages = {1210-1216}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple approach is described for the synthesis of all four orthogonally protected nucleoside-beta-amino acids from commercially available starting materials. Synthesis of a model tetrameric DNA sequence in 5{\textquoteright}-3{\textquoteright}direction employing trityl strategy and glycine as alpha-amino acid alternating with nucleoside-beta amino acids is described. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Antisense therapeutics, Neutral DNA analogues, Nucleoside-beta amino acids}, issn = {0040-4020}, doi = {10.1016/j.tet.2012.11.028}, author = {Seema Bagmare and Varada, Manojkumar and Banerjee, Anjan and Kumar, Vaijayanti A.} } @article {42807, title = {Synthesis of C(27){\textendash}C(38) fragment of aflastatin A}, journal = {Tetrahedron}, volume = {69}, year = {2013}, month = {JAN}, pages = {1830{\textendash}1840}, abstract = {

Efforts at finding out a strategy for the synthesis of the densely hydroxylated C(27){\textendash}C(48) fragment of aflastatin A have been described. The initial studies dealing with alkyne{\textendash}epoxide coupling using a linear polyol epoxide resulted in a debenzylative cycloetherification leading to a C-arabinoside derivative. This problem has been addressed by applying an epoxide pendant on a furanosyl unit. With the model alkyne, the epoxide{\textendash}alkyne coupling proceeded smoothly. Subsequently, following a sequence of [Pd]-mediated alkynone cycloisomerization/stereoselective hydroboration{\textendash}oxidation, the synthesis of the central C(27){\textendash}C(38) fragment has been executed. When employed, the original C(33){\textendash}C(48) alkyne, the coupling and the cycloisomerizations are facile. However, the resulting glycals are unstable, thus warranting a revision in our approach.

}, keywords = {Aflastatin; Epoxide{\textendash}alkyne coupling; ω-Alkynone cycloisomerization; Palladium catalysis; Hydroboration}, doi = {10.1016/j.tet.2012.12.065}, author = {Narute, Sachin B. and Ramana, C.V.} } @article { ISI:000326290300011, title = {Synthesis of C-disaccharides through a one-pot alkynol cycloisomerization-reductive deoxygenation}, journal = {Chemistry-A European Journal}, volume = {19}, number = {45}, year = {2013}, month = {NOV}, pages = {15109-15114}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {C-disaccharides, carbohydrates, Epoxide-alkyne coupling, Gold catalysis, Reductive deoxygenation}, issn = {0947-6539}, doi = {10.1002/chem.201302252}, author = {Narute, Sachin B. and Rout, Jeetendra Kumar and Ramana, Chepuri V.} } @article { ISI:000321858300002, title = {Synthesis of end-functionalized phosphate and phosphonate-polypeptides by ring-opening polymerization of their corresponding N-carboxyanhydride}, journal = {Polymer Chemistry}, volume = {4}, number = {15}, year = {2013}, month = {AUG}, pages = {4087-4091}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Phosphopolypeptides provide an interesting biomimetic analog for phosphorylated proteins that are involved in biomineralization. We have developed a high yielding synthesis of cysteine-based phosphate and phosphonate N-carboxyanhydride (NCA) by using the thiol-ene coupling reaction. These phosphate and phosphonate NCA monomers underwent polymerization using simple primary amine initiators to form well defined homophosphopolypeptides. Using a bifunctional initiator we were able to install a {\textquoteleft}{\textquoteleft}clickable{\textquoteright}{\textquoteright} alkyne or azide group at the end of the polypeptide chain. We were also able to successfully synthesize fully water-soluble phosphonate based polypeptides by hydrolysis of the corresponding phosphonate ester groups in the polypeptide. These water-soluble phosphopolypeptides adopt a random coil conformation at physiological pH.

}, issn = {1759-9954}, doi = {10.1039/c3py00409k}, author = {Das, Soumen and Kar, Mrityunjoy and Sen Gupta, Sayam} } @article { ISI:000325006600012, title = {Synthesis of indolizidine, pyrrolizidine and quinolizidine ring systems by proline-catalyzed sequential alpha-amination and HWE olefination of an aldehyde}, journal = {RSC Advances}, volume = {3}, number = {40}, year = {2013}, month = {AUG}, pages = {18288-18291}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A general procedure for the synthesis of azabicyclic ring systems viz. indolizidine, pyrrolizidine and quinolizidine has been developed utilizing proline-catalyzed sequential alpha-amination and Horner-Wadsworth-Emmons (HWE) olefination of an aldehyde as the key step. This method can be further extended to the synthesis of various biologically active natural products containing azabicyclic ring systems.

}, issn = {2046-2069}, doi = {10.1039/c3ra42001a}, author = {Kauloorkar, Shruti Vandana and Jha, Vishwajeet and Kumar, Pradeep} } @article { ISI:000316024500022, title = {Synthesis of low coercive BaFe12O19 hexaferrite for microwave applications in low-temperature cofired ceramic}, journal = {Journal of Electronic Materials}, volume = {42}, number = {4}, year = {2013}, month = {APR}, pages = {761-768}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Polycrystalline M-type barium hexaferrite (BaFe12O19) samples have been synthesized by solution combustion route at different pH and calcination conditions in order to reduce the coercivity for microwave applications in low-temperature cofired ceramic (LTCC) substrates. Structural, morphological, and magnetic properties of BaFe12O19 were studied by x-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), Raman spectroscopy, vibrating sample magnetometry (VSM), and Mossbauer spectroscopy. The formation of a single-phase hexagonal structure was confirmed by XRD. The Raman spectra reveal all characteristic peaks of BaFe12O19, illustrating the phase purity and crystal lattice symmetry of the synthesized material. Mossbauer spectra illustrate the existence of Fe3+ cations at all five crystallographic lattice sites. The microstructural features observed by FESEM disclose the growth of nanoregime particles into hexagonal platelet particles after calcination at temperatures from 800A degrees C to 1200A degrees C. The VSM results show a lower coercivity (1350 Oe to 3500 Oe) together with reasonably high saturation magnetization (55 emu/g to 60 emu/g) and a high bulk resistivity (\> 10(9) Omega-cm) at room temperature. The dependence of magnetic and electrical properties on the preparation and processing conditions is also discussed.

}, keywords = {Barium hexaferrite, coercivity, LTCC, Mossbauer spectroscopy, Raman spectroscopy}, issn = {0361-5235}, doi = {10.1007/s11664-012-2398-6}, author = {Rane, Vivek A. and Meena, Sher Singh and Gokhale, Suresh P. and Yusuf, S. M. and Phatak, Girish J. and Date, Sadgopal K.} } @article { ISI:000316693100020, title = {Synthesis of palmyrolide A and its cis-isomer and mechanistic insight into trans-cis isomerisation of the enamide macrocycle}, journal = {Chemical Communications}, volume = {49}, number = {32}, year = {2013}, month = {MAR}, pages = {3342-3344}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Concise and protecting-group free synthesis of ent-palmyrolide A and (-)-cis-palmyrolide A were achieved starting from commercially available (S)-citronellal. The key fragment of palmyrolide A, {\textquoteleft}{\textquoteleft}(5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide{\textquoteright}{\textquoteright}, which makes up the most challenging part of the target molecule, was prepared in just three steps. A plausible mechanism for the trans-cis isomerization of the double bond in the macrocycle has been investigated.

}, issn = {1359-7345}, doi = {10.1039/c3cc40541a}, author = {Philkhana, Satish Chandra and Seetharamsingh, B. and Dangat, Yuvraj B. and Vanka, Kumar and Reddy, D. Srinivasa} } @article { ISI:000320709000004, title = {Synthesis of pseudo-indoxyl derivatives via sequential Cu-catalyzed SNAr and Smalley cyclization}, journal = {Chemical Communications}, volume = {49}, number = {57}, year = {2013}, month = {APR}, pages = {6376-6378}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

ortho-Bromophenyl sec-alkyl/sec-alkenyl ketones, on reaction with sodium azide in the presence of copper salts, undergo sequential SNAr followed by Smalley cyclization to provide pseudo-indoxyl derivatives. Some of these pseudo-indoxyl derivatives exhibit interesting fluorescent properties and broad Stokes shifts.

}, issn = {1359-7345}, doi = {10.1039/c3cc41348a}, author = {Goriya, Yogesh and Ramana, Chepuri V.} } @article { ISI:000317151900024, title = {Synthesis of triangular gold nanoplates: role of bromide ion and temperature}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {422}, year = {2013}, month = {APR}, pages = {181-190}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Synthesis of noble metal triangular nanoplates is a kinetically controlled process in which temperature and packing defects play a major role. Nucleation and growth process of kinetically controlled reaction can be greatly influenced by temperature affecting the yield and edge length of the triangles. Through a conventional batch mode process, here we study the effect of temperature on nucleation and growth of gold triangular nanoplates and obtain some insight of the temperature effects on the final yield and edge length of triangles. The role of Br- ions in the synthesis of triangular nanoplates is studied by varying the amount of CAB and by replacing the CTAB with HBr. The results show that, while CTAB controls the edge length and yield of triangles, its use is not mandatory to attain plate like morphology. Finally we show that, while the initial temperature of the reaction mixture governs the nucleation rate and the rate of temperature rise governs the growth rate of particles, they along with the concentration of Br- ions control the edge length and yield. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Au nanotriangles, Halide ion effect, heat transfer, Kinetically controlled, Nature of gold precursor complex, Nucleation and growth, Optical properties}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2013.01.044}, author = {Kumar, D. V. Ravi and Kulkarni, Amol A. and Bhagavatula L. V. Prasad} } @article {42488, title = {Synthesis, steady-state, and femtosecond transient absorption studies of resorcinol bound ruthenium(ii)- and osmium(ii)-polypyridyl complexes on nano-TiO2 surface in water}, journal = {Inorganic Chemistry}, volume = {52}, year = {2013}, month = {APR}, pages = {5366{\textendash}5377}, abstract = {

The synthesis of two new ruthenium(II)- and osmium(II)-polypyridyl complexes 3 and 4, respectively, with resorcinol as the enediol anchoring moiety, is described. Steady-state photochemical and electrochemical studies of the two sensitizer dyes confirm strong binding of the dyes to TiO2 in water. Femtosecond transient absorption studies have been carried out on the dye{\textendash}TiO2 systems in water to reveal \<120 fs and 1.5 ps electron injection times along with 30\% slower back electron transfer time for the ruthenium complex 3. However, the corresponding osmium complex 4 shows strikingly different behavior for which only a \<120 fs ultrafast injection is observed. Most remarkably, the back electron transfer is faster as compared to the corresponding catechol analogue of the dye. The origin and the consequences of such profound effects on the ultrafast interfacial dynamics are discussed. This Article on the electron transfer dynamics of the aforesaid systems reinforces the possibility of resorcinol being explored and developed as an extremely efficient binding moiety for use in dye-sensitized solar cells.

}, doi = {10.1021/ic4003548}, author = {Banerjee, Tanmay and Kaniyankandy, Sreejith and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000317094300015, title = {Synthesis, structure, and H-2/CO2 adsorption in a three-dimensional 4-connected triorganotin coordination polymer with a sqc topology}, journal = {Inorganic Chemistry}, volume = {52}, number = {7}, year = {2013}, month = {APR}, pages = {3579-3581}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A 4-connected triorganotin 3D coordination polymer in a sqc topology has been shown to possess 1D microchannels along its crystallographic a axis. This main-group-element-containing framework structure shows selective gas adsorption, preferring CO2 and H-2 over N-2.

}, issn = {0020-1669}, doi = {10.1021/ic302528b}, author = {Chandrasekhar, Vadapalli and Mohapatra, Chandrajeet and Banerjee, Rahul and Mallick, Arijit} } @article {42704, title = {Synthesis, structures, and dearomatization by deprotonation of iron complexes featuring bipyridine-based PNN pincer ligands}, journal = {Inorganic Chemistry}, volume = {52}, year = {2013}, month = {JUL}, pages = {9636{\textendash}9649}, abstract = {

The synthesis and characterization of new iron pincer complexes bearing bipyridine-based PNN ligands is reported. Three phosphine-substituted pincer ligands, namely, the known tBu-PNN (6-((di-tert-butylphosphino)methyl)-2,2'-bipyridine) and the two new iPr-PNN (6-((di-iso-propylphosphino)methyl)-2,2'-bipyridine) and Ph-PNN (6-((diphenylphosphino)methyl)-2,2'-bipyridine) ligands were synthesized and studied in ligation reactions with iron(II) chloride and bromide. These reactions lead to the formation of two types of complexes: mono-chelated neutral complexes of the type [(R-PNN)Fe(X)2] and bis-chelated dicationic complexes of the type [(R-PNN)2Fe]2+. The complexes [(R-PNN)Fe(X)2] (1: R = tBu, X = Cl, 2: R = tBu, X = Br, 3: R = iPr, X = Cl, and 4: R = iPr, X = Br) are readily prepared from reactions of FeX2 with the free R-PNN ligand in a 1:1 ratio. Magnetic susceptibility measurements show that these complexes have a high-spin ground state (S = 2) at room temperature. Employing a 2-fold or higher excess of iPr-PNN, diamagnetic hexacoordinated dicationic complexes of the type [(iPr-PNN)2Fe](X)2 (5: X = Cl, and 6: X = Br) are formed. The reactions of Ph-PNN with FeX2 in a 1:1 ratio lead to similar complexes of the type [(Ph-PNN)2Fe](FeX4) (7: X = Cl, and 8: X = Br). Single crystal X-ray studies of 1, 2, 4, 6, and 8 do not indicate electron transfer from the FeII centers to the neutral bipyridine unit based on the determined bond lengths. Density functional theory (DFT) calculations were performed to compare the relative energies of the mono- and bis-chelated complexes. The doubly deprotonated complexes [(R-PNN*)2Fe] (9: R = iPr, and 10: R = Ph) were synthesized by reactions of the dicationic complexes 6 and 8 with KOtBu. The dearomatized nature of the central pyridine of the pincer ligand was established by X-ray diffraction analysis of single crystals of 10. Reactivity studies show that 9 and 10 have a slightly different behavior in protonation reactions.

}, doi = {10.1021/ic401432m}, author = {Zell, Thomas and Langer, Robert and Iron, Mark A. and Konstantinovski, Leonid and Shimon, Linda J. W. and Diskin-Posner, Yael and Leitus, Gregory and Balaraman, Ekambaram and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000323019400017, title = {Synthetic zipper peptide motif orchestrated via co-operative interplay of hydrogen bonding, aromatic stacking, and backbone chirality}, journal = {Journal of the American Chemical Society}, volume = {135}, number = {31}, year = {2013}, month = {AUG}, pages = {11477-11480}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here, we report on a new class of synthetic zipper peptide which assumes its three-dimensional zipper-like structure via a co-operative interplay of hydrogen bonding, aromatic stacking, and backbone chirality. Structural studies carried out in both solid- and solution-state confirmed the zipper-like structural architecture assumed by the synthetic peptide which makes use of unusually remote inter-residual hydrogen-bonding and aromatic stacking interactions to attain its shape. The effect of chirality modulation and the extent of noncovalent forces in the structure stabilization have also been comprehensively explored via single-crystal X-ray diffraction and solution-state NMR studies. The results highlight the utility of noncovalent forces in engineering complex synthetic molecules with intriguing structural architectures.

}, issn = {0002-7863}, doi = {10.1021/ja405455g}, author = {Nair, Roshna V. and Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Jagadeesh, Bharatam and Gonnade, Rajesh G. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000314488700006, title = {Systematic evaluation of a few proline derivatives as catalysts for a direct aldol reaction}, journal = {Tetrahedron-Asymmetry}, volume = {24}, number = {1}, year = {2013}, month = {JAN}, pages = {43-49}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of pyrrolidine derivatives were prepared and examined as catalysts for an aldol reaction. Structural variations in these molecules involved altering the sterics at the alpha-position, the position of the carbonyl group, and the acidities of the hydrogen bonding sites. The effect of these factors on catalytic activity and enantioselectivity was studied. The experimental results revealed that additional sterics at the alpha-position were detrimental. However, no correlation was found between the catalytic activity and N-H acidity. (C) 2012 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.11.018}, author = {Sutar, Revannath L. and Joshi, Navalkishore N.} } @article { ISI:000346214100014, title = {SBA-15 intercalated Mg-Al hydrotalcite: an environmental friendly catalyst for hydroisomerization of olefin}, journal = {Applied Catalysis A-General}, volume = {488}, year = {2014}, month = {NOV}, pages = {119-127}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

SBA-15 Molecular sieve-intercalated Mg-Al hydrotalcite (MASBA-HT) was synthesized for the first time by a simple straightforward method. The intercalation of SBA-15 molecular sieve between the interlayer of HT was evident from powder XRD, TEM and FT-IR studies. The presence of SBA-15 facilitates retention of the layered structure for first time, even after calcination at high temperature of 550 degrees C. The resultant material possesses moderate acidity which comes from incorporation of aluminum into the framework of SBA-15 and also contained soluble basicity similar to HT materials. The material shows promising activity for hydroisomerization of 1-octene resulting in good substrate conversion (80\%) and branched isomers selectivity (45\%). The catalytic activity remains constant over longer duration and repeated runs. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Branched alkenes, Hydroisomerization, Intercalated-hydrotalcite, layered materials, Mesoporous SBA-15}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.09.024}, author = {Baskaran, Thangaraj and Christopher, Jayaraj and Ajithkumar, Thalasseril G. and Sakthivel, Ayyamperumal} } @article { ISI:000338011200013, title = {Scaling behavior of resistive switching in epitaxial bismuth ferrite heterostructures}, journal = {Advanced Functional Materials}, volume = {24}, number = {25}, year = {2014}, month = {JUL}, pages = {3962-3969}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Resistive switching (RS) of (001) epitaxial multiferroic BiFeO3/La0.67Sr0.33MnO3/SrTiO3 heterostructures is investigated for varying lengths scales in both the thickness and lateral directions. Macroscale current-voltage analyses in conjunction with local conduction atomic force microscopy (CAFM) reveal that whilst both the local and global resistive states are strongly driven by polarization direction, the type of conduction mechanism is different for each distinct thickness regime. Electrode-area dependent studies confirm the RS is dominated by an interface mechanism and not by filamentary formation. Furthermore, CAFM maps allow deconvolution of the roles played by domains and domain walls during the RS process. It is shown that the net polarization direction, and not domain walls, controls the conduction process. An interface mechanism based on barrier height and width alteration due to polarization reversal is proposed, and the role of electronic reconstruction at the interface is further investigated.

}, issn = {1616-301X}, doi = {10.1002/adfm.201400110}, author = {Rana, Abhimanyu and Lu, Haidong and Bogle, Kashinath A. and Zhang, Qi and Vasudevan, Rama and Thakare, Vishal and Gruverman, Alexei and Ogale, Satishchandra and Valanoor, Nagarajan} } @article { ISI:000340713100031, title = {Scaling up the shape: a novel growth pattern of gallium clusters}, journal = {Journal of Chemical Physics}, volume = {141}, number = {5}, year = {2014}, month = {AUG}, pages = {Article No. 054308}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Putative global minima for Ga+N clusters with size {\textquoteleft}{\textquoteleft}N{\textquoteright}{\textquoteright} ranging from 49 to 70 are found by employing the Kohn-Sham formulation of the density functional theory, and their evolution is described and discussed in detail. We have discovered a unique growth pattern in these clusters, all of which are hollow core-shell structures. They evolve with size from one spherical core-shell to the next spherical core-shell structure mediated by prolate geometries, with an increase in overall diameter of the core, as well as the shell, without putting on new layers of atoms. We also present a complete picture of bonding in gallium clusters by critically analyzing the molecular orbitals, the electron localization function, and Bader charges. Bonding in these clusters is a mixture of metallic and covalent type that leans towards covalency, accompanied by marginal charge transfer from the surface to the core. Most molecular orbitals of Ga clusters are non-jellium type. Covalency of bonding is supported by a wide localization window of electron localization function, and joining of its basins along the bonds. (C) 2014 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4891867}, author = {Kaware, Vaibhav and Joshi, Kavita} } @article { ISI:000341339300024, title = {Second generation, arginine-rich (R-X {\textquoteleft}-R)(4)-type cell-penetrating alpha-omega-alpha-peptides with constrained, chiral omega-amino acids (X {\textquoteleft}) for enhanced cargo delivery into cells}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {24}, number = {17}, year = {2014}, month = {SEP}, pages = {4198-4202}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The syntheses of novel N-aminoalkyl proline-derived spacers (X{\textquoteright}) in polycationic (R-X{\textquoteright}-R)-motif cell-penetrating alpha-omega-alpha-peptides are described as improved molecular transporters and their structural features studied by CD. FACS analysis shows enhanced cellular uptake and confocal microscopy indicates predominantly cytoplasmic localization. The oligomers are efficient at transporting pDNA into cells. The chirality together with the hydrophobicity and flexibility derived from the spacer chain are found to have marked influence on the cell-penetrating and cargo delivery properties of the cell-penetrating peptides (CPPs). The peptides containing N-(3-aminopropyl)-D-proline spacers are found to be the best at cell penetration and cargo delivery in the present study. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {(R-X-R)-motif, alpha-omega-alpha-Peptide, Cell-penetrating peptide, Constrained chiral amino acid, Peptidomimetics}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2014.07.040}, author = {Patil, Kiran M. and Naik, Rangeetha J. and Vij, Manika and Yadav, Amit K. and Kumar, Vaijayanti A. and Ganguli, Munia and Fernandes, Moneesha} } @article { ISI:000330901700003, title = {Selection of phytase producing yeast strains for improved mineral mobilization and dephytinization of chickpea flour}, journal = {Journal of Food Biochemistry}, volume = {38}, number = {1}, year = {2014}, month = {FEB}, pages = {18-27}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Among 600 yeast isolates screened for phytase production, five (Zygosaccharomyces bisporusNCIM 3265 and 3296, Williopsis saturnusNCIM 3298, Zygosaccharomyces priorionusNCIM 3299 and Schizosaccharomyces octosporusNCIM 3297) were selected as potential phytase producers. Phytase activity was found to be cell wall associated with temperature and pH optima of 50C and 4.0, respectively. Highest phytase production was attained in cane juice medium as compared with other media used. Addition of phytase to chickpea flour significantly enhanced mineral mobilization by approximately 20-28\%, 26-37\% and 24-42\% for Zn2+, Fe2+ and Ca2+, respectively, and decreased phytic acid content by about 75-88\%.

}, issn = {0145-8884}, doi = {10.1111/jfbc.12020}, author = {Pable, A. and Gujar, P. and Khire, Jayant Malhar} } @article { ISI:000340427600056, title = {Selective synthesis of propofol (2,6-diisopropylphenol), an intravenous anesthetic drug, by isopropylation of phenol over H-beta and H-mordenite}, journal = {RSC Advances}, volume = {4}, number = {61}, year = {2014}, month = {JUL}, pages = {32467-32474}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Propofol (2,6-diisopropylphenol/DIPP) is the world{\textquoteright}s most widely used intravenous general anesthetic and is typically synthesized by isopropylation of phenol over an acid catalyst. It is highly difficult to stabilize bio-oil containing phenolic compounds. The isopropylation of this phenol (a model compound representing species in bio-oils) is one of the options to stabilize the bio-oil and convert it into valuable products. Probably for the first time, H-beta- and H-mordenite-catalysed vapour phase isopropylation of phenol with isopropyl alcohol (IPA) was studied to selectively synthesize DIPP. The optimization of various operating parameters such as molar ratio (phenol : IPA), weight hourly space velocity (WHSV), reaction temperature and time on stream were performed. H-beta (94\% phenol conv. and 56\% DIPP sel.) was found to be a potential and more active catalyst than H-mordenite (68\% phenol conv. and 43\% DIPP sel.) at optimized process parameters. A kinetic model is proposed to probe the intricate reaction kinetics and validated (R-2 \> 0.98) by the experimental results. H-beta catalyst was observed to be stable for more than 25 h with 94\% phenol conversion and 56\% selectivity towards DIPP at optimized process parameters. The phenol conversion and DIPP selectivity obtained in the present study are higher than those reported so far. The activation energy obtained for isopropylation of phenol with IPA over H-beta is calculated to be 25.39 kJ mol(-1).

}, issn = {2046-2069}, doi = {10.1039/c4ra03004d}, author = {Nandiwale, Kakasaheb Y. and Bokade, Vijay V.} } @article { ISI:000330542900022, title = {Sequential electrochemical unzipping of single-walled carbon nanotubes to graphene ribbons revealed by in situ Raman spectroscopy and imaging}, journal = {ACS Nano}, volume = {8}, number = {1}, year = {2014}, month = {JAN}, pages = {234-242}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report an in situ Raman spectroscopic and microscopic investigation of the electrochemical unzipping of single-walled carbon nanotubes (SWNTs). Observations of the radial breathing modes (RBMs) using Raman spectral mapping reveal that metallic SWNTs are opened up rapidly followed by gradual unzipping of semiconducting SWNTs. Consideration of the resonant Raman scattering theory suggests that two metallic SWNTs with chiralities (10,4) and (12, 0) get unzipped first at a lower electrode potential (036 V) followed by the gradual unzipping of another two metallic tubes, (9, 3) and (10, 1), at a relatively higher potential (1.16 V). The semiconducting SWNTs with chiralities (11, 7) and (12, 5), however, get open up gradually at +/- 1.66 V. A rapid decrease followed by a subsequent gradual decrease in the metallicity of the SWNT ensemble as revealed from a remarkable variation of the peak width of the G band complies well with the variations of RBM. Cyclic voltammetry also gives direct evidence for unzipping in terms of improved capacitance after oxidation followed by more important removal of oxygen functionalities during the reduction step, as reflected in subtle changes of the morphology confirming the formation of graphene nanoribbons. The density functional-based tight binding calculations show additional dependence of chirality and diameter of nanotubes on the epoxide binding energies, which is in agreement with the Raman spectroscopic results and suggests a possible mechanism of unzipping determined by combined effects of the structural characteristics of SWNTs and applied field.

}, keywords = {density functional-based tight binding calculations, Electrochemistry, graphene, Raman spectral mapping, single-walled carbon nanotubes}, issn = {1936-0851}, doi = {10.1021/nn403289g}, author = {John, Robin and Shinde, Dhanraj B. and Liu, Lili and Ding, Feng and Xu, Zhiping and Vijayan, Cherianath and Pillai, Vijayamohanan K. and Pradeep, Thalappil} } @article { ISI:000342873800010, title = {Short enantioselective total synthesis of (R)- and (S)-pipecolic acid}, journal = {Tetrahedron-Asymmetry}, volume = {25}, number = {16-17}, year = {2014}, month = {SEP}, pages = {1246-1251}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A convenient and practical total synthesis of (R)- and (S)-pipecolic acid has been achieved by utilizing chiral cis-aziridine-2-carboxylate as the common synthetic precursor. The synthesis involves regioselective reductive cleavage of the aziridine ring and Wittig olefination as key reactions. (C) 2014 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2014.08.001}, author = {Chavan, Subhash P. and Khairnar, Lalit B. and Chavan, Prakash N. and Kalbhor, Dinesh B.} } @article { ISI:000340208400016, title = {Silica and zirconia supported tungsten, molybdenum and gallium oxide catalysts for the synthesis of furfural}, journal = {Catalysis Science \& Technology}, volume = {4}, number = {9}, year = {2014}, month = {JUN}, pages = {2904-2907}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

SiO2 and ZrO2 supported W, Mo and Ga oxide catalysts were prepared by a sol-gel and wet-impregnation method. The 10 wt\% WO3/SiO2 (sol-gel) catalyst showed 61 +/- 2\% furfural yield from hemicellulose in a one-pot fashion for at least 8 cycles. Based on XRD, TPD and Hammett acidity characterizations, the catalyst structure-activity correlation was drawn.

}, issn = {2044-4753}, doi = {10.1039/c4cy00530a}, author = {Bhaumik, Prasenjit and Kane, Tanushree and Dhepe, Paresh Laxmikant} } @article { ISI:000345651600040, title = {Simple and efficient synthesis of isocoumarins and alkylidenephthalides from 3-(1-hydroxycarbethoxy/alkyl)phthalides with a DEAD/PPh3/TBHP system}, journal = {RSC Advances}, volume = {4}, number = {101}, year = {2014}, month = {NOV}, pages = {57658-57661}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A facile and novel approach to the synthesis of 3-carbethoxy-isocoumarins and 3-alkylidenephthalides is described. The methodology employs DEAD/PPh3/TBHP as the reagent system proceeding through unprecedented 1,2-shift intramolecular ring expansion or simple elimination depending upon substituents present on 3-substituted phthalides, with broader substrate scope. This strategy is amply demonstrated in the short synthesis of bioactive molecules such as cytogenin and (Z)-3-butylidene-7-hydroxy-5-methoxyphthalide.

}, issn = {2046-2069}, doi = {10.1039/c4ra10372f}, author = {Gadakh, Sunita K. and Sudalai, Arumugam} } @article { ISI:000341004800003, title = {Simple, economical, and environmentally benign protocol for the synthesis of 2-amino-3,5-dicarbonitrile-6-sulfanylpyridines at ambient temperature}, journal = {Green Chemistry Letters and Reviews}, volume = {7}, number = {3}, year = {2014}, month = {JUN}, pages = {228-235}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

A simple, economical, and environmentally benign protocol has been described for one-pot synthesis of medicinally privileged 2-amino-3,5-dicarbonitrile-6-sulfanylpyridines by three-component condensation between aldehyde, malononitrile, and thiol using diethylamine as a catalyst. Ambient temperature and avoidance of conventional work-up as well as purification procedure qualify this cost-effective protocol for {\textquoteleft}{\textquoteleft}green synthesis.{\textquoteright}{\textquoteright}

}, keywords = {5-dicarbonitriles, diethylamine, green chemistry, multicomponent reactions, organocatalyst, pyridine-3}, issn = {1751-8253}, doi = {10.1080/17518253.2014.925144}, author = {Desai, Uday V. and Kulkarni, Makarand A. and Pandit, Kapil S. and Kulkarni, Aparna M. and Wadgaonkar, Prakash P.} } @article { ISI:000344471800052, title = {Simple molecular engineering of glycol nucleic acid: progression from self-pairing to cross-pairing with cDNA and RNA}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {22}, number = {21}, year = {2014}, month = {NOV}, pages = {6227-6232}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The acyclic chiral nucleic acid analogue, Glycol Nucleic Acid (GNA), displayed exceptional structural simplicity and atom economy while forming self-paired duplexes, using canonical Watson-Crick base pairing. We disclose here that the replacement of phosphodiester linker in GNA with somewhat rigid and shorter carbamate linker in Glycol Carbamate Nucleic Acid (GCNA) backbone allows unprecedented stability to the antiparallel self-paired duplexes. The R-GCNA oligomers were further found to form cross-paired antiparallel duplexes with cDNA and RNA following Watson-Crick base pairing. The stability of cross-paired GCNA: DNA and GCNA: RNA duplexes was higher than the corresponding DNA: DNA and DNA: RNA duplexes. The chiral (R) and (S) precursors were easily accessible from naturally occurring L-serine. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Acyclic chiral nucleic acid, Cross-pairing, GCNA, GNA, Self-pairing}, issn = {0968-0896}, doi = {10.1016/j.bmc.2014.08.022}, author = {Bose, Tanaya and Kumar, Vaijayanti A.} } @article { ISI:000346266000076, title = {Single-layer MoSe2 based NH3 gas sensor}, journal = {Applied Physics Letters}, volume = {105}, number = {23}, year = {2014}, month = {DEC}, pages = {233103}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

High performance chemical sensor is highly desirable to detect traces of toxic gas molecules. Two dimensional (2D) transition metal dichalcogenides (TMDC) semiconducting materials has attracted as high performance gas sensor device applications due to unique properties such as high surface to volume ratio. Here, we describe the utilization of single-layer MoSe2 as high-performance room temperature NH3 gas sensors. Our single-layer MoSe2 based gas sensor device shows comprehensible detection of NH3 gas down to 50 ppm. We also confirmed gas sensing measurement by recording the Raman spectra before and after exposing the device to NH3 gas, which subsequently shows the shift due to charger transfer and analyte gas molecule adsorption on surface of single-layer MoSe2 nanosheet. Our investigations show the potential use of single-layer and few layer thick MoSe2 and other TMDC as high-performance gas sensors. (C) 2014 AIP Publishing LLC.

}, issn = {0003-6951}, doi = {10.1063/1.4903358}, author = {Late, Dattatray J. and Doneux, Thomas and Bougouma, Moussa} } @article { ISI:000330812400022, title = {Single-pot formation of THFAL via catalytic hydrogenation of FFR over Pd/MFI catalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {2}, year = {2014}, month = {FEB}, pages = {272-281}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Furfural (FFR) was selectively hydrogenated in a single pot to tetrahydrofurfuryl alcohol (THFAL) over a Si MFI molecular sieve supported Pd catalyst. Studies on catalyst screening revealed that both the metal function and the support were critical for directing the selectivity to the ringhydrogenated product, THFAL. The structural feature of MFI as shown by XRD was completely retained in the used sample of the 3\% Pd/MFI catalyst confirming its stability under reaction conditions. XRD, along with SEM characterization of the used samples, established retention of morphology of the structured silicate, suggesting a strong interaction between hexagonal porous silicate and Pd particles. The complete conversion of FFR with an enhanced selectivity of 95\% to THFAL could be achieved by recycling the crude of the first hydrogenation experiment over the same 3\% Pd/MFI catalyst.

}, keywords = {Biomass conversion, Hydrogenation, Pd/MFI, Recyclability, THFAL}, issn = {2168-0485}, doi = {10.1021/sc400302b}, author = {Biradar, Narayan S. and Hengne, Amol M. and Birajdar, Shobha N. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Rode, Chandrashekhar V.} } @article { ISI:000346321700065, title = {Size quantization effects on interfacial electron transfer dynamics in Ru(II)-polypyridyl complex sensitized ZnO QDs}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {49}, year = {2014}, month = {DEC}, pages = {28898-28905}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Quantum-size confinement in semiconductor material offers size based tunability of interband gap energy as well as intraband sublevels. In this work, size quantization of wide bandgap ZnO quantum dots has been explored in the study of interfacial charge separation reaction using a catechol functionalized Ru(II)polypyridyl complex as a photosensitizer molecule. Femtosecond time-resolved transient absorption studies have revealed multiple electron injection events based on discrete conduction band states of ZnO QDs. The electron injection rates have been rationalized for quantum confinement effects owing to different sizes of ZnO QDs. Furthermore, the size dependency of the intrinsic lifetime of electrons injected into discrete energy levels of ZnO QDs has been revealed in charge recombination reaction with the Ru(III)polypyridyl complex cation. The charge recombination dynamics reveals a competing trend of carrier confinement and carrier leak upon reducing particle size. This study shows the optimization of finite size effects in achieving better interfacial charge separation at the dye/semiconductor interface.

}, issn = {1932-7447}, doi = {10.1021/jp5101158}, author = {Verma, Sandeep and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000338042500053, title = {Smallest organocatalyst in highly enantioselective direct aldol reaction in wet solvent-free conditions}, journal = {RSC Advances}, volume = {4}, number = {46}, year = {2014}, month = {MAY}, pages = {24311-24315}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The catalytic efficacy of the smallest organocatalyst, L-proline hydrazide, prepared from a cheaply available natural amino acid, such as L-proline, was studied for the direct asymmetric aldol reaction of various ketones with aromatic aldehydes at room temperature in the presence of several acid additives. A loading of 10 mol\% of catalyst 1 and p-toluenesulphonic acid as an additive was employed in this reaction, and good yields (up to 99\%) with high anti/syn diastereoselectivities (up to 95 : 5) and enantioselectivities (up to \>99.9\%) were achieved in aqueous media.

}, issn = {2046-2069}, doi = {10.1039/c4ra02690j}, author = {Bhowmick, Sudipto and Kunte, Sunita S. and Bhowmick, Kartick C.} } @article { ISI:000341543200034, title = {Soft colloidal scaffolds capable of elastic recovery after large compressive strains}, journal = {Chemistry of Materials}, volume = {26}, number = {17}, year = {2014}, month = {SEP}, pages = {5161-5168}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Assemblies of inorganic or glassy particles are typically brittle and cannot sustain even moderate deformations. This restricts the use of such materials to applications where they do not experience significant loading or deformation. Here, we demonstrate a general strategy to create centimeter-size macroporous monoliths, composed primarily (\>90 wt \%) of colloidal particles, that recover elastically after compression to about one-tenth their original size. We employ ice templating of an aqueous dispersion of particles, polymer, and cross-linker such that cross-linking happens in the frozen state. This method yields elastic composite scaffolds for starting materials ranging from nanoparticles to micron-sized dispersions of inorganics or glassy lattices. The mechanical response of the monoliths is also qualitatively independent of polymer type, molecular weight, and even cross-linking chemistry. Our results suggest that the monolith mechanical properties arise from the formation of a unique hybrid microstructure, generated by cross-linking the polymer during ice templating. Particles that comprise the scaffold walls are connected by a cross-linked polymeric mesh. This microstructure results in soft monoliths, with moduli similar to O (10(4) Pa), despite the very high particle content in their walls. A remarkable consequence of this microstructure is that the monolith mechanical response is entropic in origin: the modulus of these scaffolds increases with temperature over a range of 140 K. We show that interparticle connections formed by cross-linking during ice templating determine the monolith modulus and also allow relative motion between connected particles, resulting in entropic elasticity.

}, issn = {0897-4756}, doi = {10.1021/cm502643a}, author = {Rajamanickam, Raja and Kumar, Sushma and Kumar, Deepak and Ghosh, Shankar and Kim, Jong Chul and Tae, Giyoong and Sen Gupta, Sayam and Kumaraswamy, Guruswamy} } @article { ISI:000334141800011, title = {Soft-sensor development for biochemical systems using genetic programming}, journal = {Biochemical Engineering Journal}, volume = {85}, year = {2014}, month = {APR}, pages = {89-100}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Soft-sensors are software based process monitoring systems/models. In real-time they estimate those process variables, which are difficult to measure online or whose measurement by analytical procedures is tedious and time-consuming. In this study, the genetic programming (GP), an artificial intelligence based data-driven modeling formalism, has been introduced for the development of soft-sensors for biochemical processes. The novelty of the GP is that given example input-output data, it searches and optimizes both the form (structure) and parameters of an appropriate linear/nonlinear data-fitting model. In this study, GP-based soft-sensors have been developed for two bioprocesses, namely extracellular production of lipase enzyme and bacterial production of poly(3-hydroxybutyrate-co-3-hydroxyvalerate) copolymer. While in case study-I, the soft-sensor predicts the time-dependent lipase activity (U/ml), in case study-II it predicts the amount of accumulated polyhydroxyalkanoates (\% dcw). The prediction and generalization performance of the GP-based soft-sensors was compared with the corresponding multi-layer perceptron (MLP) neural network and support vector regression (SVR) based soft-sensors. This comparison indicates that in the first case study the GP-based soft-sensor with the training and test set correlation coefficient (root-mean-squared-error) magnitudes of \>0.96 (approximate to 0.962 U/ml) has clearly outperformed the two other soft-sensors. In case study-II involving bacterial copolymer production, the GP and SVR based soft-sensors have performed equally well (correlation coefficient approximate to 0.98) while the MLP based soft-sensor{\textquoteright}s performance was relatively inferior (correlation coefficient approximate to 0.94). (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Artificial intelligence, Batch processing, Bioprocess monitoring, Lipase, Modeling, sensors}, issn = {1369-703X}, doi = {10.1016/j.bej.2014.02.007}, author = {Sharma, Suraj and Tambe, Sanjeev S.} } @article { ISI:000336351800043, title = {Solar photocatalytic degradation of methylene blue using doped TiO2 nanoparticles}, journal = {Solar Energy}, volume = {103}, year = {2014}, month = {MAY}, pages = {473-479}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Doped-TiO2 nanoparticles (M:TiO2: Fe, Zn, Zr, Sb, Ce and nM:TiO2: B, C, N, P, S) with anatase structure were prepared by sol-gel method and characterized by X-ray diffraction (XRD), Transmission electron microscopy (TEM), X-ray photoelectron spectra (XPS), Brunauer-Teller method (BET), UV-Vis diffuses reflectance spectroscopy (DRS). Results revealed that the anatase structure is highly stable for all doped TiO2 prepared compounds with enhancement in the surface area. UV-Vis diffuse reflectance spectra showed that these dopants were responsible for narrowing the band gap of TiO2 and shifting its optical response from ultraviolet to visible-light region. The photocatalytic activities of these multi-doped TiO2 catalysts were investigated by degradation methylene blue in aqueous solution under solar-light illumination. The results showed an appreciable enhancement in the photoactivity of the C-doped TiO2 as compared to other multi-doped TiO2 because of the formation of Ti+3 species which prevent the recombination of electron-hole pairs in C-doped TiO2. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon, iron, Methylene blue, Solar photocatalysis}, issn = {0038-092X}, doi = {10.1016/j.solener.2014.02.043}, author = {Bhosale, R. R. and Pujari, S. R. and Muley, G. G. and Patil, S. H. and Patil, K. R. and Shaikh, M. F. and Gambhire, A. B.} } @article { ISI:000341544200034, title = {Sol-gel assisted fabrication of collagen hydrolysate composite scaffold: a novel therapeutic alternative to the traditional collagen scaffold}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {17}, year = {2014}, month = {SEP}, pages = {15015-15025}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Collagen is one of the most widely used biomaterial for various biomedical applications. In this Research Article, we present a novel approach of using collagen hydrolysate, smaller fragments of collagen, as an alternative to traditionally used collagen scaffold. Collagen hydrolysate composite scaffold (CHCS) was fabricated with sol-gel transition procedure using tetraethoxysilane as the silica precursor. CHCS exhibits porous morphology with pore sizes varying between 380 and 780 mu m. Incorporation of silica conferred CHCS with controlled biodegradation and better water uptake capacity. Notably, 3T3 fibroblast proliferation was seen to be significantly better under CHCS treatment when compared to treatment with collagen scaffold. Additionally, CHCS showed excellent antimicrobial activity against the wound pathogens Staphylococcus aureus, Bacillus subtilis, and Escherichia coli due to the inherited antimicrobial activity of collagen hydrolysate. In vivo wound healing experiments with full thickness excision wounds in rat model demonstrated that wounds treated with CHCS showed accelerated healing when compared to wounds treated with collagen scaffold. These findings indicate that the CHCS scaffold from collagen fragments would be an effective and affordable alternative to the traditionally used collagen structural biomaterials.

}, keywords = {collagen, collagen hydrolysate, scaffold, sol-gel, tissue engineering, wound Healing}, issn = {1944-8244}, doi = {10.1021/am502948g}, author = {Ramadass, Satiesh Kumar and Perumal, Sathiamurthi and Gopinath, Arun and Nisal, Anuya and Subramanian, Saravanan and Madhan, Balaraman} } @article { ISI:000332485000001, title = {Solid acid catalyzed depolymerization of lignin into value added aromatic monomers}, journal = {RSC Advances}, volume = {4}, number = {25}, year = {2014}, month = {FEB}, pages = {12625-12629}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Depolymerization of lignin to produce value-added aromatic monomers has attracted a lot of attention since these monomers can potentially be used as fuel additives (octane enhancers) and in turn can improve the prospects of cellulosic ethanol technology to become economically feasible. Here we show that solid acid catalysts could efficiently convert lignin into value added aromatic monomers with 60\% yields and ca. 95\% mass balance when depolymerization reactions were carried out at 250 degrees C for 30-120 minutes. We found that the reaction parameters have a remarkable effect on improving the yields.

}, issn = {2046-2069}, doi = {10.1039/c3ra47818a}, author = {Deepa, Ayillath K. and Dhepe, Paresh Laxmikant} } @article { ISI:000337551800010, title = {Solid base supported metal catalysts for the oxidation and hydrogenation of sugars}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {388}, number = {SI}, year = {2014}, month = {JUL}, pages = {90-99}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Pt impregnated on gamma-Al2O3 (acidic support) and hydrotalcite (basic support) catalysts were synthesized, characterized and used in the oxidation and hydrogenation reactions of C5 and C6 sugars. In the absence of homogeneous base, 83\% yield for gluconic acid; an oxidation product of glucose can be achieved over Pt/hydrotalcite (HT) catalyst at 50 degrees C under atmospheric oxygen pressure. Similarly, 57\% yield for xylonic acid, an oxidation product of xylose is also possible over Pt/HT catalyst. Hydrogenation of glucose conducted using Pt/gamma-Al2O3 + HT catalytic system showed 68\% sugar alcohols (sorbitol + mannitol) formation. The 82\% yield for C5 sugar alcohols (xylitol + arabitol) was obtained by subjecting xylose to hydrogenation over Pt/gamma-Al2O3 + HT at 60 degrees C. UV analysis helped to establish the fact that under alkaline conditions sugars prefer to remain in open chain form in the solution and thus exposes -CHO group which further undergoes oxidation and hydrogenation reactions to yield acids and alcohols. (c) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Hydrogenation, Oxidation, Solid base, Sugars, Supported metal catalysts}, issn = {1381-1169}, doi = {10.1016/j.molcata.2013.09.014}, author = {Tathod, Anup and Kane, Tanushree and Sanil, E. S. and Dhepe, Paresh Laxmikant} } @article { ISI:000334895800021, title = {Solid, double-metal cyanide catalysts for synthesis of hyperbranched polyesters and aliphatic polycarbonates}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {2, SI}, year = {2014}, note = {21st National Symposium on Catalysis (CATSYMP), CSIR Indian Inst Chem Technol, Hyderabad, INDIA, FEB 11-13, 2013}, month = {MAR}, pages = {499-509}, publisher = {Catalysis Soc India}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Fe-Zn and Co-Zn double-metal cyanide (DMC) complexes exhibit highly efficient and selective catalytic activity for synthesis of hyperbranched polyesters (glycerol succinic acid (G-SA) and glycerol adipic acid (G-AA)) and aliphatic polycarbonates (via., alternative co-polymerization of cyclohexene oxide and CO2), respectively. The influence of method of preparation of DMC, in particular the mode of addition of reagents, on its physicochemical and catalytic properties was investigated. Co-Zn DMC was found highly selective for polycarbonate (than polyethers) formation. Catalysts prepared using tert-butanol and PEG-4000 as complexing and co-complexing agents, respectively, were found superior to those prepared without these agents. Apart from its role as a coordinating ligand, tert-butanol activated the Lewis acidic Zn2+ sites for reactions in polyester and polycarbonate formation. Hydrophobicity, micro-mesoporosity, acid strength and the amount of coordinated complexing agent are some of the crucial factors influenced the catalytic activity of DMC complexes.

}, keywords = {aliphatic polycarbonate, CO2 utilization, Double-metal cyanide complex, heterogeneous catalysis, hyperbranched polyester}, issn = {0974-3626}, author = {Sebastian, Joby and Darbha, Srinivas} } @article { ISI:000331861300008, title = {Solid-state NMR investigations of a MgCl2 center dot 4(CH3)(2)CHCH2OH molecular adduct: a peculiar case of reversible equilibrium between two phases}, journal = {Journal of Physical Chemistry A}, volume = {118}, number = {7}, year = {2014}, month = {FEB}, pages = {1213-1219}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

MgCl2 center dot xROH molecular adducts are extensively employed as a support material for Ziegler-Natta polyolefin catalysis. However, their structural properties are not well understood. Recently, we reported on the preparation of an isobutanol adduct, MgCl2 center dot 4(CH3)(2)CHCH2OH (MgiBuOH) (Dalton Trans. 2012, 41, 11311), which is very sensitive to the preparation conditions, such as the temperature and refluxing time. For the present study, the structural properties of MgiBuOH adducts prepared under different conditions have been investigated thoroughly by solid-state NMR and nonambient XRD. Formation of two phases has been confirmed, and in situ variable temperature solid-state NMR measurements confirm the coexistence of two phases as well as the oscillation from one to another phase. It is expected that such molecular adducts could have a significant role in organic transformation reactions due to an oscillating structural component. An understanding of phase oscillation with the Mg2+ ion as the central metal ion might shed some light toward understanding various biological and structural functions.

}, issn = {1089-5639}, doi = {10.1021/jp412331s}, author = {Thushara, K. S. and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Gopinath, Chinnakonda S.} } @article { ISI:000335559100055, title = {Solvothermal synthesis of mesoporous manganese oxide with enhanced catalytic activity for veratryl alcohol oxidation}, journal = {RSC Advances}, volume = {4}, number = {37}, year = {2014}, month = {APR}, pages = {19450-19455}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Catalyst activities of manganese and cobalt oxides prepared by solvothermal and co-precipitation methods were studied for veratryl alcohol oxidation. Manganese oxides showed higher activity performance than that of cobalt oxides irrespective of the method of preparation. The solvothermal method yielded mesoporous manganese oxide without using any template giving mixed phases of monoclinic Mn5O8 and hausmannite Mn3O4. The mesoporous manganese oxide exhibited excellent activity for liquid phase aerobic oxidation of veratryl alcohol under base free conditions, with 90\% conversion and almost complete selectivity towards veratraldehyde. The detailed characterization results on morphology, size and composition of the prepared mesoporous manganese oxide obtained by XRD, XPS, H-2-TPR, N-2 adsorption-desorption isotherms, FESEM and HR-TEM techniques were used to understand the role of morphological and structural features in enhancement of the observed catalytic activity.

}, issn = {2046-2069}, doi = {10.1039/c4ra00184b}, author = {Jha, Ajay and Chandole, Tejansh and Pandya, Rajan and Roh, Hyun-Seog and Rode, Chandrashekhar V.} } @article { ISI:000345295000001, title = {Special issue section commemorating Prof. J. B. Joshi}, journal = {Canadian Journal of Chemical Engineering}, volume = {92}, number = {12}, year = {2014}, month = {DEC}, pages = {2011-2012}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, issn = {0008-4034}, doi = {10.1002/cjce.22069}, author = {Nandakumar, K. and Kulkarni, A.} } @article { ISI:000344244700034, title = {Specific probe for Hg2+ to delineate even H+ in pure aqueous buffer/Hct116 colon cancer cells: Hg(II)-eta(2)-arene pi-interaction and a TBET-based fluorescence response}, journal = {Chemical Communications}, volume = {50}, number = {92}, year = {2014}, month = {SEP}, pages = {14421-14424}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new molecular probe that demonstrates a distinct TBET process, induced by the Hg(II)-eta(2)-arene pi-interaction, in pure aqueous medium with a large pseudo-Stokes shift of 200 nm.

}, issn = {1359-7345}, doi = {10.1039/c4cc06740a}, author = {Reddy, Upendar G. and Ramu, Vadde and Roy, Sovan and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000336013600030, title = {Spectroscopic and antibacterial studies of new octaazamacrocyclic complexes derived from carbohydrazide and isatin}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {128}, year = {2014}, month = {JUL}, pages = {243-247}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A novel series of the macrocyclic complexes of the type: [M(C18H14N10O2)X-2], where M = Co(II), Ni(II), Cu(II) and Zn(II); X = Cl-, NO3- and CH3COO-, has been synthesized by template condensation of carbohydrazide and isatin in methanolic medium. The complexes were characterized by various physico-chemical techniques, such as elemental analyses, molar conductance measurements, magnetic measurements, and electronic, NMR, IR and EPR spectral studies. The low value of molar conductance indicates them to be non-electrolytes. Based on various studies, a distorted octahedral geometry was proposed for all the metal complexes. Metal complexes were tested for their in vitro antibacterial activities against some pathogenic bacterial strains and compared with standard antibiotic, Ciprofloxacin. Some of the tested complexes was found effective against Gram-positive bacterial strains. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Carbohydrazide, Isatin, Macrocyclic complexes, MIC, Template condensation}, issn = {1386-1425}, doi = {10.1016/j.saa.2014.02.128}, author = {Kumar, Krishan and Kamboj, Monika and Jain, Kiran and Singh, D. P.} } @article { ISI:000348532300001, title = {Spontaneous jamming and unjamming in a hopper with multiple exit orifices}, journal = {Physical Review E}, volume = {90}, number = {2}, year = {2014}, month = {AUG}, pages = {020201}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

We show that the flow of granular material inside a two-dimensional flat bottomed hopper is altered significantly by having more than one exit orifice. For hoppers with small orifice widths, intermittent flow through one orifice enables the resumption of flow through the adjacent jammed orifice, thus displaying a sequence of jamming and unjamming events. Using discrete element simulations, we show that the total amount of granular material (i.e., avalanche size) emanating from all the orifices combined can be enhanced by about an order of magnitude difference by simply adjusting the interorifice distance. The unjamming is driven primarily by fluctuations alone when the interorifice distance is large, but when the orifices are brought close enough, the fluctuations along with the mean flow cause the flow to unjam.

}, issn = {1539-3755}, doi = {10.1103/PhysRevE.90.020201}, author = {Kunte, Amit and Doshi, Pankaj and Orpe, Ashish V.} } @article { ISI:000340526400001, title = {Stable silanone with a three-coordinate silicon atom: a century-long wait is over}, journal = {Angewandte Chemie-International Edition}, volume = {53}, number = {34}, year = {2014}, month = {AUG}, pages = {8820-8822}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {cations, germanones, Ketones, silanones, transition metals}, issn = {1433-7851}, doi = {10.1002/anie.201404793}, author = {Sen, Sakya S.} } @article { ISI:000344384000010, title = {Static and dynamic photoluminescence and photocatalytic properties of uniform, monodispersed up/down-converting, highly luminescent, lanthanide-ion-doped beta-NaYF4 phosphor microcrystals with controlled multiform morphologies}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {45}, year = {2014}, month = {SEP}, pages = {19189-19200}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Lanthanide-ion-doped, single-crystalline hexagonal phase NaYF4 microcrystals with multiform morphologies, such as microrods, hexagonal microprisms, and spindle-like structures, were fabricated via a cationic/anionic binary capping agent system: CTAB and a tri-sodium citrate-assisted hydrothermal route. The influence of synthesis conditions on the crystalline morphology was studied and the possible growth mechanisms are presented systematically. The down-conversion and up-conversion photoluminescence (PL) properties of beta-NaYF4:Ln(3+) (Ln = Tb, Yb/Er, and Yb/Tm) were investigated. The static and dynamic PL studies of beta-NaYF4:5\% Tb3+ showed strong dependence of luminescent properties on the crystalline morphology. Furthermore, the beta-NaYF4:5\% Tb3+ phosphors exhibited efficient photocatalytic activity under UV as well as solar light irradiation, and showed enhanced selectivity towards methylene blue. Moreover, the morphological effect on the photocatalytic activity of beta-NaYF4:5\% Tb3+ crystals has also been studied. The high luminescence efficiency and strong photocatalytic activity of beta-NaYF4:5\% Tb3+ make them a potential phosphor material and promise to provide a gateway into other applications as in biology and materials sciences.

}, issn = {2050-7488}, doi = {10.1039/c4ta04274c}, author = {Padhye, Preeti and Poddar, Pankaj} } @article { ISI:000341653300004, title = {Status of membrane distillation for water and wastewater treatment-a review}, journal = {Desalination and Water Treatment}, volume = {52}, number = {28-30}, year = {2014}, month = {AUG}, pages = {5199-5218}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

Membrane distillation (MD) is a promising separation technique for water treatment. It is a nonisothermal process known since 1963. However, this technology still needs to be developed for its industrial implementation for different purposes. This paper presents a status review of MD based on the available published literatures and on preliminary analysis. The review covers the concept, membranes and modules design, configurations, performance parameters, fouling phenomena, the heat and mass transfer phenomena, applications, energy assessment, heat integration, and Memstill technology of MD process. Earlier study indicates that the permeate quality obtained by MD is stable and practically independent on the feed concentrations. The permeate flux is strongly affected by the feed temperature, feed flow rate, vacuum pressure in vacuum MD, and the boundary layer heat transfer coefficient. The permeate flux obtained in the literature of MD process is disagree by an order of enormity and hence better experimental work is needed. The less attention was found in the literature towards the removal of organic and inorganic toxic constituents from the groundwater by MD process.

}, keywords = {Fouling, Membrane configuration, Membrane design, Membrane distillation, wastewater}, issn = {1944-3994}, doi = {10.1080/19443994.2013.808422}, author = {Pangarkar, Bhausaheb L. and Sane, Mukund G. and Parjane, Saroj B. and Guddad, Mahendra} } @article { ISI:000336733100003, title = {Steady state fluorescence studies of wild type recombinant cinnamoyl CoA reductase (Ll-CCRH1) and its active site mutants}, journal = {Journal of Fluorescence}, volume = {24}, number = {3}, year = {2014}, month = {MAY}, pages = {665-673}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Fluorescence quenching and time resolved fluorescence studies of wild type recombinant cinnamoyl CoA reductase (Ll-CCRH1), a multitryptophan protein from Leucaena leucocephala and 10 different active site mutants were carried out to investigate tryptophan environment. The enzyme showed highest affinity for feruloyl CoA (K (a) = 3.72 x 10(5) M-1) over other CoA esters and cinnamaldehydes, as determined by fluorescence spectroscopy. Quenching of the fluorescence by acrylamide for wild type and active site mutants was collisional with almost 100 \% of the tryptophan fluorescence accessible under native condition and remained same after denaturation of protein with 6 M GdnHCl. In wild type Ll-CCRH1, the extent of quenching achieved with iodide (f (a) = 1.0) was significantly higher than cesium ions (f (a) = 0.33) suggesting more density of positive charge around surface of trp conformers under native conditions. Denaturation of wild type protein with 6 M GdnHCl led to significant increase in the quenching with cesium (f (a) = 0.54), whereas quenching with iodide ion was decreased (f (a) = 0.78), indicating reorientation of charge density around trp from positive to negative and heterogeneity in trp environment. The Stern-Volmer plots for wild type and mutants Ll-CCRH1 under native and denatured conditions, with cesium ion yielded biphasic quenching profiles. The extent of quenching for cesium and iodide ions under native and denatured conditions observed in active site mutants was significantly different from wild type Ll-CCRH1 under the same conditions. Thus, single substitution type mutations of active site residues showed heterogeneity in tryptophan microenvironment and differential degree of conformation of protein under native or denatured conditions.

}, keywords = {Active site mutants, Cinnamoyl CoA reductase, fluorescence, Ligand binding, Solute quenching}, issn = {1053-0509}, doi = {10.1007/s10895-013-1343-2}, author = {Sonawane, Prashant and Vishwakarma, Rishi Kishore and Singh, Somesh and Gaikwad, Sushama M. and Khan, Bashir Mohammad} } @article { ISI:000339494600024, title = {Stereoselective approach to 2,6-disubstituted piperidin-3-ol: synthesis of (-)-deoxoprosopinine and (+)-deoxoprosophylline}, journal = {European Journal of Organic Chemistry}, number = {22}, year = {2014}, month = {AUG}, pages = {4897-4902}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A simple and highly efficient approach to an enantioenriched 2,6-disubstituted piperidin-3-ol skeleton is developed from an aldehyde as a starting material by using organocatalytic and asymmetric dihydroxylation as the key steps. Its application to the total synthesis of (-)-deoxoprosopinine and (+)-deoxoprosophylline is also reported.

}, keywords = {alkaloids, Amination, Amino alcohols, synthetic methods, Wittig reactions}, issn = {1434-193X}, doi = {10.1002/ejoc.201402363}, author = {Jha, Vishwajeet and Kauloorkar, Shruti Vandana and Kumar, Pradeep} } @article { ISI:000337129000023, title = {Stereoselective approach to indolizidine and pyrrolizidine alkaloids: total synthesis of (-)-lentiginosine, (-)-epi-lentiginosine and (-)-dihydroxypyrrolizidine}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {25}, year = {2014}, month = {MAY}, pages = {4454-4460}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple and highly efficient approach to hydroxylated pyrrolizidine and indolizidine is developed from an aldehyde as a starting material using organocatalytic and asymmetric dihydroxylation reactions as key steps. Its application to the total synthesis of (-)-lentiginosine, (-)-epi-1,2-lentiginosine and (-)-dihydroxypyrrolizidine is also reported.

}, issn = {1477-0520}, doi = {10.1039/c4ob00461b}, author = {Kauloorkar, Shruti Vandana and Jha, Vishwajeet and Jogdand, Ganesh F. and Kumar, Pradeep} } @article { ISI:000345660300032, title = {Stereospecific synthetic approach towards tamiflu using the ramberg-backlund reaction from cysteine hydrochloride}, journal = {RSC Advances}, volume = {4}, number = {107}, year = {2014}, month = {NOV}, pages = {62281-62284}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The stereospecific formal synthesis of Tamiflu from L-cysteine hydrochloride as the chiral source is described. The notable feature of the present strategy is the Ramberg-Backlund reaction and Sharpless-Reich protocol as the key chemical transformations to access the cyclohexene skeleton of Tamiflu.

}, issn = {2046-2069}, doi = {10.1039/c4ra10391b}, author = {Chavan, Subhash P. and Chavan, Prakash N. and Gonnade, Rajesh G.} } @article { ISI:000331848900023, title = {Stress inducible proteomic changes in capsicum annuum leaves}, journal = {Plant Physiology and Biochemistry}, volume = {74}, year = {2014}, month = {JAN}, pages = {212-217}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Herbivore attack induces defense responses in plants, activating several signaling cascades. As a result, molecules deterrent to the herbivores are produced and accumulated in plants. Expression of defense mechanism/traits requires reorganization of the plant metabolism, redirecting the resources otherwise meant for growth. In the present work, protein profile of Capsicum annuum leaves was examined after herbivore attack/induction. Majority of proteins identified as differentially accumulated, were having roles in redox metabolism and photosynthesis. For example, superoxide dismutase and NADP oxidoreductase were upregulated by 10- and 6-fold while carbonic anhydrase and fructose-1,6-bisphosphatase were downregulated by 9- and 4-fold, respectively. Also, superoxide dismutase, NADPH quinone oxidoreductase and NADP dependent isocitrate dehydrogenase transcripts showed a higher accumulation in induced leaf tissues at early time points. In general, proteins having role in defense and damage repair were upregulated while those involved in photosynthesis appeared downregulated. Thus metabolic reconfiguration to balance defense and tolerance was evident in the stress-induced leaves. (C) 2013 Elsevier Masson SAS. All rights reserved.

}, keywords = {Capsicum annuum, Oxidative stress, Wounding}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2013.11.017}, author = {Mahajan, Neha S. and Mishra, Manasi and Tamhane, Vaijayanti A. and Gupta, Vidya S. and Giri, Ashok P.} } @article {46396, title = {Structural basis of Iridoid synthase mediated cyclization of 10-oxogeranial}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C270}, type = {Meeting Abstract}, keywords = {Cryo-EM, iridoid synthase, Single Particle reconstruction}, issn = {2053-2733}, author = {Sandholu, Anandsukeerthi and H. V. Thulasiram and Sengupta, Jayati and Kulkarni, Kiran} } @article {46376, title = {Structural characterization of a UbiA superfamily member of archaeal origin}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C401}, type = {Meeting Abstract}, keywords = {Lipid biosynthesis, UbiA superfamily}, issn = {2053-2733}, author = {Boral, Debjyoti and Ramasamy, Suresh Kumar} } @article { ISI:000345082000021, title = {Structural diversity in serine derived homochiral metal organic frameworks}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {5, SI}, year = {2014}, month = {SEP}, pages = {1399-1408}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Two new Zn(II) and Cd(II) based homochiral metal-organic frameworks (MOFs) [SerCdOAc and Zn(Ser)(2)] have been synthesized using pyridyl functionalized amino acid, viz., serine, as an organic linker. The SerCdOAc structure is three dimensional, while that of the Zn(Ser)(2) is two dimensional. The polar voids of the corresponding MOFs are filled with solvent molecules (water in the case of SerCdOAc and methanol in the case of Zn(Ser)(2)). In both cases, metal centres, i.e., Zn(II) and Cd(II), are hexacoordinated. However, with a change in the solvent for synthesis, ligand coordination mode and incorporation of additional coordinated anion resulted in a great change in the final MOF architecture. Herein, for the first time, we could achieve structural variety and synthesize MOFs composed of only metal ion and pyridyl functionalized amino acid linker.

}, keywords = {Amino acid, crystal engineering, hydrogen bonding, metal organic framework}, issn = {0974-3626}, doi = {10.1007/s12039-014-0714-9}, author = {Kundu, Tanay and Banerjee, Rahul} } @article { ISI:000329266500032, title = {Structural investigations of porous MgCl2-2-butanol molecular adduct as support for olefin polymerization}, journal = {Applied Catalysis A-General}, volume = {469}, year = {2014}, month = {JAN}, pages = {267-274}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A new heterogeneous Ziegler-Natta (Z-N) catalyst support material, MgCl2 center dot 4(CH3CH(OH)CH2CH3) (Mg2BuOH) has been synthesized. 2-Butanol, a linear, secondary alcohol was chosen for the generation of an active MgCl2 support which results in a Z-N catalyst with TiCl4. Significant feature of this work is the formation of rod shaped molecular adduct with highly porous character. Adduct material is characterized by XRD, TG-DTA, Raman spectroscopy, solid-state NMR and SEM. Activity of the Z-N catalyst supported on Mg2BuOH for ethylene polymerization is comparable with that of commercially available heterogeneous Z-N catalyst. However, there is scope to improve the activity by optimizing textural properties. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {heterogeneous catalysis, MgCl2, Molecular adduct, NMR, Polyolefin, Ziegler-Natta catalyst}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.10.002}, author = {Thushara, K. S. and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Gopinath, Chinnakonda S.} } @article {46391, title = {Structural studies on an atypical Rho GTPase RhoH}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C389}, type = {Meeting Abstract}, keywords = {lymphoma, RhoH, TCR signalling}, issn = {2053-2733}, author = {Motiwala, Zenia and Kulkarni, Kiran} } @article { ISI:000331861500013, title = {Structure and dynamics of benzyl-NX3 (X = Me, Et) trifluoromethanesulfonate ionic liquids}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {7}, year = {2014}, month = {FEB}, pages = {1831-1838}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Ammonium-based benzyl-NX3 (X = methyl, ethyl) trifluoromethanesulfonate (TFA) ionic liquids (ILs) are low cost, nontoxic, thermally stable ion-conducting electrolytes in fuel cells and batteries. In the present study, we have characterized the structure and dynamics of these ILs using molecular dynamics (MD) simulations and ionic conductivity using electro-chemical impedance spectroscopy (EIS) at varying temperature and relative humidity (RH). Results from MD simulations predict that cation-cation and cation-anion interactions are stronger in benzyltrimethylammonium (BzTMA) compared to benzyltriethylammonium (BzTEA) that diminish with increase in RH. Further, the BzTMA cations show both C-H/Ph (center of mass of phenyl ring) and cation-Ph interactions whereas BzTEA cations show only strong cation-Ph interactions. The C-H/Ph interactions (psi \>= 90 degrees, d(H-Ph) \<= 4 angstrom, theta \< 50 degrees and d(C.Ph) \<= 4.3 angstrom) in BzTMA cations increase with RH and are highest at RH = 90\%. The cumulative impact of electrostatic, cation/Ph, and C-H/Ph interactions results in lower conductivity of BzTMA-TFA IL compared to BzTEA-TFA IL. The EIS measurements show that the trends in ionic conductivity of ILs at RH = 30 and 90\% are qualitatively similar to the Nernst-Einstein conductivity from MD simulations. The ionic conductivity of BzTEA-TFA IL is similar to 3 times higher than BzTMA-TFA IL at 353 K and RH = 90\%.

}, issn = {1520-6106}, doi = {10.1021/jp410487a}, author = {Sunda, Anurag Prakash and Dhavale, Vishal M. and Kurungot, Sreekumar and Venkatnathan, Arun} } @article { ISI:000338423600051, title = {Structure function attributes of gold nanoparticle vaccine association: effect of particle size and association temperature}, journal = {International Journal of Pharmaceutics}, volume = {471}, number = {1-2}, year = {2014}, month = {AUG}, pages = {439-448}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Many biotherapeutic applications of gold nanoparticles make use of conjugated or adsorbed protein moieties. Physical parameters of association such as particle size, morphology, surface chemistry and temperature influences the protein-nanoparticle association and thereby their interaction with the biological environment. In present study, effect of size of chitosan reduced gold nanoparticles (CsAuNPs) and association temperature on structure and function of tetanus toxoid (TT) vaccine has been investigated. CsAuNPs were synthesized in the sizes of 20 + 3, 40 + 5 and 80 + 7 nm followed by loading of TT. Binding process of CsAuNPs with TT was investigated at their predetermined micro molar concentrations. Upon binding of TT onto CsAuNPs, particle surface was characterized using X-ray photoelectron spectroscopy. CD spectroscopic evaluation of TT bound 20 nm CsAuNPs led to 75\% reduction in secondary structure of TT and thereby compromised immune function. Binding of TT with 40 and 80 nm sized CsAuNPs did not cause significant modifications in secondary structure or function of TT. Thermodynamic studies using temperature dependent fluorescence spectroscopy revealed an increase in association constants with the temperature. Based on thermodynamic data three phases in CsAuNPs and TT association process were traced. Samples from these distinct phases were also investigated for immunological recognition. Ex-vivo interaction of TT-CsAuNPs with TT positive and negative sera followed by relative change in particle size and zeta potential was studied. The findings here suggests prominent role of particle size and association temperature on adsorbed TT structure and function. Such studies may help in engineering functional nanotherapeutics. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Association thermodynamics, Gold nanoparticle, Nanoparticle protein interaction, Structure function studies, Vaccine formulation}, issn = {0378-5173}, doi = {10.1016/j.ijpharm.2014.06.002}, author = {Barhate, Ganesh A. and Gaikwad, Sushama M. and Jadhav, Suresh S. and Pokharkar, Varsha B.} } @article {46378, title = {Structure of highly active BSH enzyme with subordinated post-translational excision}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C272}, type = {Meeting Abstract}, keywords = {Bile salt hydrolase, Mutagenesis, X-ray crystallography}, issn = {2053-2733}, author = {Chand, Deepak and Panigrahi, Priyabrata and Ramasamy, Sureshkumar and Suresh, C. G.} } @article { ISI:000337786700050, title = {Structure sensitive chemical reactivity by palladium concave nanocubes and nanoflowers synthesised by a seed mediated procedure in aqueous medium}, journal = {Nanoscale}, volume = {6}, number = {13}, year = {2014}, month = {JUN}, pages = {7496-7502}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Palladium nanocubes and their transformation to concave nanocubes and nanoflowers are realised by a seed mediated procedure in aqueous medium and at room temperature using cationic surfactants. The concave nanocubes and nanoflowers were found to be enclosed by high index facets. The under coordinated atoms present on the high index facets make these nanostructures chemically more active towards Suzuki coupling and Heck coupling reactions compared to the conventional nanocubes and spherical nanoparticles of similar size.

}, issn = {2040-3364}, doi = {10.1039/c4nr01283f}, author = {Sreedhal, S. and Sudheeshkumar, V. and Vinod, C. P.} } @article { ISI:000332188200009, title = {Structure, stability, and properties of the trans peroxo nitrate radical: the importance of nondynamic correlation}, journal = {Journal of Physical Chemistry A}, volume = {118}, number = {8}, year = {2014}, month = {FEB}, pages = {1350-1362}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report a comparative single-reference and multireference coupled-cluster investigation on the structure, potential energy surface, and IR spectroscopic properties of the trans peroxo nitrate radical, one of the key intermediates in stratospheric NOx chemistry. The previous single-reference ab initio studies predicted an unbound structure for the trans peroxo nitrate radical. However, our Fock space multireference coupled-cluster calculation confirms a bound structure for the trans peroxo nitrate radical, in accordance with the experimental results reported earlier. Further, the analysis of the potential energy surface in FSMRCC method indicates a well-behaved minima, contrary to the shallow minima predicted by the single-reference coupled-cluster method. The harmonic force field analysis, of various possible isomers of peroxo nitrate also reveals that only the trans structure leads to the experimentally observed IR peak at 1840 cm(-1). The present study highlights the critical importance of nondynamic correlation in predicting the structure and properties of high-energy stratospheric NOx radicals.

}, issn = {1089-5639}, doi = {10.1021/jp409218c}, author = {Dutta, Achintya Kumar and Dar, Manzoor and Vaval, Nayana and Pal, Sourav} } @article { ISI:000344998700012, title = {Structure-property relationship in charge transporting behaviour of room temperature liquid crystalline perylenebisimides}, journal = {Journal of Materials Chemistry C}, volume = {2}, number = {46}, year = {2014}, month = {OCT}, pages = {9882-9891}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A homologous series of pentadecyl phenol functionalized perylenebisimide (PBI) terminated with trialkoxy gallate esters was synthesized, where the terminal alkyl chain length was varied from n = 4 to 12 (PBI-En). The thermotropic liquid crystalline (LC) characteristics of the molecules were analyzed using differential scanning calorimetry (DSC), polarized light microscopy (PLM) combined with variable temperature wide angle X-ray diffraction (WXRD) techniques. A clear odd-even oscillation was observed in the melting as well as isotropization enthalpies as a function of alkyl spacer length in the terminal gallate unit, with the even spacers exhibiting higher values. The higher members of the series with n \> 8 exhibited thermotropic liquid crystalline textures in the PLM, which remained stable until room temperature. The nature of the LC phase was identified to be columnar rectangular and columnar hexagonal based on detailed analysis of the WXRD pattern recorded in the LC phase. The WXRD pattern of the room temperature LC frozen samples indicated a nearly constant intra columnar stack distance of similar to 3.7 angstrom for all the members. The space-charge-limited current (SCLC) values of the LC frozen sample films were analyzed for dependence of the bulk mobility estimate on the nature of the LC phase. The columnar hexagonal phase exhibited a mobility value one order (10(-3) cm(2) V-1 s(-1)) higher than that of crystalline (10(-4) cm(2) V-1 s(-1)) and two orders higher than that of columnar rectangular phase (10(-5) cm(2) V-1 s(-1)), indicating a strong dependence of packing on bulk mobility.

}, issn = {2050-7526}, doi = {10.1039/c4tc01806k}, author = {Prajitha, K. P. and Chithiravel, Sundaresan and Krishnamoorthy, K. and Asha, S. K.} } @article { ISI:000335660200006, title = {Studies on morphology of polyaniline films formed at liquid-liquid and solid-liquid interfaces at 25 and 5 A degrees C, respectively, and effect of doping}, journal = {Colloid and Polymer Science}, volume = {292}, number = {5}, year = {2014}, month = {MAY}, pages = {1079-1089}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

It is well accepted that the morphology of the nanomaterials has great effect on the properties and hence their applications. Therefore, morphology of materials has become a focus of research in the scientific world. The present study shows that interfacial polymerization and subsequent self-assembly provides a control over the morphology, nanorod/nanosheet, of polyaniline (PANI) films synthesized by liquid-liquid interface reaction technique and solid-liquid interface reaction technique. The synthesized PANI films and its particulate structure are characterized by using various spectroscopic techniques such as UV-visible, ATR-IR, Raman and XPS. The study confirmed the formation, the structure, the size and shape of particles and morphology of PANI by using analytical techniques namely, SAED, SEM and TEM. An important observation is that doping with HCl significantly improves the nanorod formation at the interface. The doped PANI electrode exhibits a higher area with rectangular shape in CV cycle and better cycle stability when compared with the performance of undoped PANI films. We believe that the results of these studies can give valuable leads to manoeuvre formation of PANI films with desired morphology for various applications.

}, keywords = {interfacial polymerization, Liquid-liquid interface, Nanorods, nanosheets, polyaniline, Self-assembly, Solid-liquid interface, Thin films}, issn = {0303-402X}, doi = {10.1007/s00396-013-3150-3}, author = {Waghmode, Babasaheb J. and Patil, Sagar H. and Jahagirdar, Mandar M. and Patil, Virendra S. and Waichal, Rupali P. and Malkhede, Dipalee D. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article { ISI:000329554400013, title = {Studies on the effect of sintering conditions on the magnetostriction characteristics of cobalt ferrite derived from nanocrystalline powders}, journal = {Journal of the European Ceramic Society}, volume = {34}, number = {3}, year = {2014}, month = {MAR}, pages = {677-686}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The effect of sintering conditions on the magnetostriction characteristics of sintered cobalt ferrite derived from nanocrystalline powders is studied. It is observed that the magnetostriction coefficient as well as the slope of the magnetostriction as a function of field depends on the microstructure of the sintered product. There is a direct correlation between the magnetostriction characteristics and density as well as porosity of the sintered products. Intragranular pores are found to be strongly influencing the magnetostriction characteristics. Similarly, correlation is found between the magnetostriction parameters and the Curie temperature, indicating the role of cation distribution which affects the magnetic anisotropy. Sintering the compacts made from nanocrystalline powders at 1450 degrees C for a very short duration is found to give high values of magnetostriction coefficient. However, higher values of magnetostriction at low magnetic fields are obtained for samples sintered at lower temperatures for longer duration and having relatively lower density. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Cobalt ferrite, Magnetostriction, Microstructure, Nanocrystalline, Sintering}, issn = {0955-2219}, doi = {10.1016/j.jeurceramsoc.2013.09.018}, author = {Mohaideen, Kamal Khaja and Joy, Pattayil Alias} } @article { ISI:000346624500001, title = {Study of base-catalyzed aldol reaction of trimethylsilyl enolates}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {53}, number = {12}, year = {2014}, month = {DEC}, pages = {1553-1560}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Mukaiyama-type aldol reaction of trimethylsilyl enolates with aldehydes in the presence of a base is a complicated reaction. It usually results in various products determined by the nature of base and reaction medium. The present study has been undertaken to understand these factors and design new Lewis base catalysts to optimize the yield of desired aldol product. It has been shown that mild Bronsted base with inbuilt hydrogen bonding sites are efficient catalysts for the reactions involving trimethylsilyl enolates. Based on the observed results, a mechanism is proposed to explain the reaction outcome.

}, keywords = {Aldol reaction, base catalyzed, carboxylate salts, lithium amides}, issn = {0376-4699}, author = {Sutar, R. L. and Joshi, Navalkishore N.} } @article { ISI:000340538400005, title = {Subtilase from Beauveria sp.: conformational and functional investigation of unusual stability}, journal = {European Biophysics Journal With Biophysics Letters}, volume = {43}, number = {8-9}, year = {2014}, month = {SEP}, pages = {393-403}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Retention of total activity of the subtilisin-like serine protease from Beauveria sp. MTCC 5184 (Bprot) in the vicinity of (1) 3 M GdnHCl for 12 h, (2) 50 \% methanol and dimethyl sulfoxide each for 24 h, and (3) proteolytic enzymes (trypsin, chymotrypsin, and proteinase K) for 48 h led to expect the enzyme to be a kinetically stable protein. Also, the structure of the protein was stable at pH 2.0. Biophysical characterization and conformational transitions were monitored using steady-state and time-resolved fluorescence, FTIR, and CD spectroscopy. Single tryptophan in the protein exists as two conformers, in hydrophobic and polar environment. The secondary structure of Bprot was stable in 3 M GdnHCl as seen in far-UV CD spectra. The active fraction of Bprot obtained from size-exclusion chromatography in the presence of GdnHCl (1.0-3.0 M) eluted at reduced retention time. The peak area of inactive or denatured protein with the same retention time as that of native protein increased with increasing concentration of denaturant (1.0-4.0 M GdnHCl). However, the kinetics of GdnHCl-induced unfolding as studied from intrinsic fluorescence revealed k (unf) of native protein to be 5.407 x 10(-5) s(-1) and a half-life of 3.56 h. The enzyme is thermodynamically stable in spite of being resistant to the denaturant, which could be due to the effect of GdnHCl imparting rigidity to the active fraction and simultaneously unfolding the partially unfolded protein that exists in equilibrium with the folded active protein. Thermal and pH denaturation of Bprot exhibited interesting structural transitions.

}, keywords = {Beauveria, Chemical denaturation, Conformational transitions, Serine protease, Subtilase, Thermal denaturation, Thermodynamic stability}, issn = {0175-7571}, doi = {10.1007/s00249-014-0971-z}, author = {Dalal, Sayli A. and More, Snehal V. and Shankar, Shiv and Laxman, Ryali Seeta and Gaikwad, Sushama M.} } @article {46398, title = {Sulfonic acid loaded self-standing covalent organic membrane for proton conduction}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C1150}, type = {Meeting Abstract}, keywords = {COF, Membrane, proton conduction}, issn = {2053-2733}, author = {Sasmal, Himadri Sekhar and Banerjee, Rahul} } @article { ISI:000332188100002, title = {Superior grafting and state-of-the-art interfacial electron transfer rates for newly designed geminal dicarboxylate bound ruthenium(II)- and osmium(II)-polypyridyl dyes on TiO2 nanosurface}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {8}, year = {2014}, month = {FEB}, pages = {3864-3877}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two new Ru(II)-/Os(II)-polypyridyl based sensitizer dyes with geminal dicarboxylic acid group as the binding unit for superior grafting of the dye to TiO2 have been designed and synthesized. Steady-state photochemical studies of the two sensitizer dyes in presence of TiO2 in water confirm strong binding of the dyes to TiO2. Femtosecond transient absorption studies of these newly synthesized dyes on TiO2 nanosurface have been carried out in water and the results have been compared with those for the corresponding 4,4{\textquoteright}-dicarboxy-2,2{\textquoteright}-bipyridine analogues of the dyes. While the charge recombination rates are considerably slower, interestingly, the electron injection rates are very fast for multiple saturated C-C linkages present between the chromophoric core and the anchoring moiety. The origin and the consequences of such profound effects on the ultrafast interfacial dynamics are discussed. This is the first report on the ultrafast transient absorption studies of dyes with geminal dicarboxylic acid binding groups, which we believe will add significantly to the present research efforts toward the development of robust and efficient dyes for use in dye solar applications.

}, issn = {1932-7447}, doi = {10.1021/jp4077917}, author = {Banerjee, Tanmay and Biswas, Abul Kalam and Reddy, Upendar G. and Sahu, Tuhin Subhra and Das, Amitava and Ganguly, Bishwajit and Ghosh, Hirendra Nath} } @article {46377, title = {Supramolecular gel to metal organic framework transformation}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C526}, type = {Meeting Abstract}, keywords = {gel, MOF, Supramolecular}, issn = {2053-2733}, author = {Chakraborty, Amit and Banerjee, Rahul} } @article { ISI:000340216300010, title = {Supramolecular P4VP-pentadecylphenol naphthatenebisimide comb-polymer: mesoscopic organization and charge transport properties}, journal = {Journal of Materials Chemistry C}, volume = {2}, number = {32}, year = {2014}, month = {AUG}, pages = {6511-6519}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A supramolecular comb polymer of pentadecyl phenol (PDP) substituted naphthalenebisimide (PDP-UNBI) with poly(4-vinylpyridine) (P4VP) is reported. The mesoscopic organization within the P4VP(PDP-UNBI), complexes was studied using wide-angle X-ray diffraction (WXRD) technicjues. The packing diagram obtained from the single-crystal XRD analysis of the PDP-UNBI crystals gave a clear picture of the initial arrangement present in self-associated PDP-UNBI alone. Correlating this with the XRD data of the hydrogen-bonded polymer complex provided insight into the probable packing of the P4VP chains within the crystalline lattice of PDP-UNBI leading to a highly ordered lamellar packing. Transmission electron microscopy (TEM) revealed the uniform mesomorphic lamellar structures in the domain range of similar to 5-10 nm. Furthermore, the charge carrier mobility measurements observed from space-charge-limited current (SCLC) measurements demonstrated that transport behaviour of the hydrogen-bonded P4VP(PDP-UNBI) complex (2 x 10(-2) cm(2) V-1 s(-1)) was comparable to that of the crystalline naphthalenebisimide molecule itself (9 x 10(-3) cm(2) V-1 s(-1)), which is a great achievement, since the complex now offers a package of solution-processable n-type semiconductor polymer with mobility equivalent to that of a small crystalline molecule.

}, issn = {2050-7526}, doi = {10.1039/c4tc00611a}, author = {Narayan, Rekha and Kumar, Prashant and Narayan, K. S. and Asha, S. K.} } @article {46372, title = {Supramolecular synthon hierarchy in bumetanide cocrystals}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {FEB}, pages = {C721}, type = {Meeting Abstract}, keywords = {Novel cocrystals of sulfonamide drug Bumetanide with carboxamides are developed based on supramolecular synthons approach}, issn = {2053-2733}, author = {Allu, Suryanarayana and Bolla, Geetha and Tothadi, Srinu and Nangia, Ashwini} } @article { ISI:000343613000075, title = {Supramolecular transitions in native cellulose-I during progressive oxidation reaction leading to quasi-spherical nanoparticles of 6-carboxycellulose}, journal = {Carbohydrate Polymers}, volume = {113}, year = {2014}, month = {NOV}, pages = {615-623}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Cellulose-I swells considerably in phosphoric acid, and converts to amorphous cellulose via a cellulose-II transition state. Controlled oxidation of cellulose-I to 6-carboxycellulose (6CC) using HNO3-H3PO4-NaNO2 oxidation system led to the selective production of 6CC{\textquoteright}s of varying carboxyl contents (1.7-22\%) as well as various shapes and sizes (macro-sized fibrils of several micron length and/or spherical nanoparticles of 25-35 nm), depending on the reaction conditions. 6CC{\textquoteright}s having less than 14\% carboxyl content were largely in cellulose-II form (WAXRD values in-between cellulose I and cellulose II), whereas at 14-22\% the 6CC{\textquoteright}s were largely amorphous; only trace crystallinity was observed at 19\% and 22\% carboxyl 6CC. Spherical nanoparticles retained a high degree of crystallinity having cellulose-I structure, whereas the macro-sized fibrils were largely converted to cellulose-II structure. Analysis by WAXRD as well as by CP-MAS C-13 NMR studies gave similar conclusions. Reduced molecular weight with progressive oxidation, including presence of oligomers, was also evident from an increase in the reducing-end carbon peak at similar to 92 ppm. For high oxidation levels (\>14\%) the NMR 92-96 ppm peaks disappeared on extracting with dilute alkali, due to soluble oligomers being removed. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Carboxycellulose, cellulose, Nanoparticles, NMR, WAXRD}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.07.056}, author = {Sharma, Priyanka R. and Rajamohanan, Pattuparambil R. and Varma, Anjanikumar} } @article { ISI:000341464100041, title = {Surface studies on benzophenone doped PDMS microstructures fabricated using KrF excimer laser direct write lithography}, journal = {Applied Surface Science}, volume = {314}, year = {2014}, month = {SEP}, pages = {292-300}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

his paper discusses microfabrication process for benzophenone doped polydimethylsiloxane (PDMS) using laser lithography. KrF excimer laser of 248 nm with 20 ns pulse width at repetition rate of 1 Hz was used for microfabrication of undoped and benzophenone doped PDMS. The doped-PDMS shows sensitivity below 365 nm, permitting processing under ambient light. The analysis of etch depth revealed that doped PDMS shows self developable sensitivity at lower fluence of similar to 250 mJ/cm(2). The unexposed and exposed surface was studied using Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and Scanning electron microscopy (SEM). Spectrocopic analysis indicated increase in C-O, C=O, Si-O-3 and Si-O-4 bonding at the expense of Si-C and Si-O-2 bonds of PDMS. In case of laser exposed doped-PDMS, removal of benzophenone from probe depth of spectroscopy was observed. Whereas the surface morphology of exposed and unexposed doped-PDMS was observed to be same, indicating clean development of PDMS micropattems. The present study indicates that addition of 3.0 wt.\% benzophenone in PDMS enhance self development sensitivity of PDMS. The self developable results on doped-PDMS are quite encouraging for its potential use in point of care Lab-On-Chip applications, for fabricating micropattems using direct write laser lithography technology.\ 

}, keywords = {Direct write laser lithography, Microfabrication, micropatterning, Poly(dimethylsiloxane) (PDMS)}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2014.06.054}, author = {Kant, Madhushree Bute and Shinde, Shashikant D. and Bodas, Dhananjay S. and Patil, K. R. and Sathe, V. G. and Adhi, K. P. and Gosavi, S. W.} } @article { ISI:000331191200046, title = {Surface synergism of an Ag-Ni/ZrO2 nanocomposite for the catalytic transfer hydrogenation of bio-derived platform molecules}, journal = {RSC Advances}, volume = {4}, number = {19}, year = {2014}, month = {FEB}, pages = {9730-9736}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Levulinic acid was completely and selectively converted to GVL, in the presence of formic acid over an Ag-Ni/ZrO2 catalyst. The synergism between Ag and Ni in transfer hydrogenation eliminates the need for external hydrogen, making the process safer. The magnetic nature of the catalyst offers easy recovery for efficient recycling. This approach is standardized for the hydrogenation of several C-3-C-6 platform molecules in an aqueous medium.

}, issn = {2046-2069}, doi = {10.1039/c3ra46495d}, author = {Hengne, Amol M. and Malawadkar, Atul V. and Biradar, Narayan S. and Rode, Chandrashekhar V.} } @article { ISI:000341779000037, title = {Surfactant free gram scale synthesis of mesoporous Ni(OH)(2)-r-GO nanocomposite for high rate pseudocapacitor application}, journal = {RSC Advances}, volume = {4}, number = {75}, year = {2014}, month = {AUG}, pages = {39875-39883}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a single-step surfactant-free gram scale hydrothermal synthesis of mesoporous Ni(OH)(2) nanoparticles and the Ni(OH)(2)-reduced graphene oxide (Ni(OH)(2)-r-GO) nanocomposite. Interesting morphological features are noted. These nanomaterials are examined and compared as cathode materials for pseudo-capacitor application through detailed characterizations. A high specific capacitance (C-s) of 1538 F g(-1) is observed for Ni(OH)(2)-r-GO even at a high current density of 40 A g(-1), whereas at the same current rate, bare Ni(OH)(2) shows C-s of only 936 F g(-1).

}, issn = {2046-2069}, doi = {10.1039/c4ra06601d}, author = {Singh, Upendra and Banerjee, Abhik and Mhamane, Dattakumar and Suryawanshi, Anil and Upadhyay, Kush Kumar and Ogale, Satishchandra} } @article { ISI:000340017000020, title = {Sustainable polyacetals from isohexides}, journal = { Green Chemistry}, volume = {16}, number = {8}, year = {2014}, month = {AUG}, pages = {3810-3818}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A single step synthetic protocol to access a small family of renewable diacetals was established. The resultant chiral diacetals are valuable building blocks in pharmaceuticals and materials science. To demonstrate their synthetic competence, isohexide-diacetals (2a-c) were subjected to acetal metathesis polymerization and the corresponding polymers (poly2a-c) were isolated as white solids with molecular weights in the range 3200-27 600 (g mol(-1)). The semi-crystalline polymers displayed glass transition temperatures between 38-65 degrees C and melting temperatures in the range 103-156 degrees C. The isohexide derived polyacetats are stable under practical washing and rinsing conditions but degrade in slightly acidic media.

}, issn = {1463-9262}, doi = {10.1039/c4gc00543k}, author = {Rajput, B. S. and Gaikwad, S. R. and Menon, Shamal K. and Chikkali, Samir H.} } @article { ISI:000364541100006, title = {Syntheses, X-ray structures, catalytic activity and magnetic properties of two new coordination polymers of Co(II) and Ni(II) based on benzenedicarboxylate and linear N,N {\textquoteleft}-donor Schiff base linkers}, journal = {Inorganic Chemistry Frontiers}, volume = {1}, number = {5}, year = {2014}, month = {APR}, pages = {414-425}, abstract = {

{Two isostructural coordination polymers based on Co(II) and Ni(II), {[M(azpy)(3)(p-bdc)(2)(H2O)(4)]center dot(CH3OH)(2)(H2O)(3)}(n) [where M = Co (1) and Ni (2); azpy = N,N{\textquoteright}-bis-pyridin-4-ylmethylene-hydrazine and p-bdc = 1,4-benzenedicarboxylate], have been synthesized using mixed ligand systems at room temperature and characterized by single-crystal X-ray diffraction and other physicochemical methods. Structure determination reveals that both the complexes crystallize in the monoclinic space group C2/c and exhibit one-dimensional (1D) ladder like structures constructed by p-bdc and azpy ligands in which Schiff base (azpy) linkers serve as a bridging as well as pendent ligands. These pendent ligands are involved in H-bonding and pi-pi interactions with lattice water, methanol molecules and bridging azpy ligands, to form the 3D supramolecular structure. Notably, both the frameworks efficiently catalyze the Knoevenagel condensation reactions of a wide range of substituted benzaldehydes with active methylene compounds in heterogeneous medium under environmentally friendly conditions and the products were obtained in excellent yields. These catalysts were also found to exhibit excellent recyclability and re-usability without any significant loss of activity. A variable temperature magnetic study of both compounds was carried out and their magnetic properties justified on the basis of their crystal structure.

}, author = {Bhattacharya, Biswajit and Maity, Dilip Kumar and Pachfule, Pradip and Colacio, Enrique and Ghoshal, Debajyoti} } @article { ISI:000333205200038, title = {Synthesis and characterization of 3-[N,N {\textquoteleft}-bis-3-(salicylidenamino)ethyltriamine] Mo(VI)O-2@SBA-15: a highly stable and reusable catalyst for epoxidation and sulfoxidation reactions}, journal = {RSC Advances}, volume = {4}, number = {27}, year = {2014}, month = {MAR}, pages = {14063-14073}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The efficient and reusable oxidation catalyst 3-[N,N{\textquoteright}-bis-3-(salicylidenamino)ethyltriamine] Mo(VI)O-2@SBA-15 has been synthesized by the anchoring of the 3-[N,N-bis-3-(salicylidenamino)ethyltriamine] ligand (L or Salpr) on the inner surfaces of organofunctionalized SBA-15 and subsequent complexation with Mo(VI) O-2(acac)(2). The physico-chemical properties of the functionalized catalysts were analyzed by elemental analysis, ICP-OES, XRD, N-2-sorption measurements, TG \& DTA, solid state C-13, Si-29 NMR spectroscopy, FT-IR, Raman spectroscopy, XPS, DRS UV-Vis spectroscopy, SEM and TEM. XRD and N-2 sorption analyses helped to find out the morphological and textural properties of the synthesized catalysts and confirm that an ordered mesoporous channel structure was retained even after the multistep synthetic procedures. The (100), (110) and (200) reflections in SBA-15 provide hints of a good structural stability, the existence of long range ordering and a high pore wall thickness. TG and DTA results reveal that the thermal stability of (L)Mo(VI)O-2@SBA-15 was maintained up to 300 degrees C. The organic moieties anchored over the surface of the SBA-15 support were determined by solid state C-13 NMR and FT-IR spectroscopy. Further, solid state Si-29 NMR spectroscopy provides the information about the degree of functionalization of the surface silanol groups with the organic moiety. The electronic environment and the oxidation state of the molybdenum site in (L)Mo(VI)O-2@SBA-15 were monitored by Raman spectroscopy, XPS and DRS UV-Vis techniques. Moreover, the morphology and topographic information of the synthesized catalysts were confirmed by SEM and TEM imaging. The synthesized catalysts were evaluated in epoxidation and sulfoxidation reactions, and the results show that (L)Mo(VI)O-2@SBA-15 exhibits high conversion and selectivity towards epoxidation and sulfoxidation reactions in combination with high stability. The anchored solid catalysts can be recycled effectively and reused several times without major loss in activity. In addition, Sheldon{\textquoteright}s hot filtration test was also carried out.

}, issn = {2046-2069}, doi = {10.1039/c3ra47222a}, author = {Lazar, Anish and Thiel, Werner R. and Singh, A. P.} } @article { ISI:000333231700009, title = {Synthesis and characterization of azoxy based mesogenic diols}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {53}, number = {3}, year = {2014}, month = {MAR}, pages = {359-362}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Azoxy based rigid mesogenic diols have been synthesized using two steps. Phenol/cresol is used as starting material. Synthesized diols are characterized by IR, H-1 and C-13 NMR, and mass spectroscopic methods. Thermal properties have been determined by thermo gravimetric analysis method and crystallinity patterns have been obtained by wide angle X-ray diffiactogram. Substituted phenol (methyl) is used to study the effect of substitution on physical and thermal properties of rigid azoxy mesogenic diol. The detailed characterization of azoxy based rigid diols is reported in this communication, which is highly useful for fundamental and applied research, particularly in liquid crystals and liquid crystalline polymers. The experimental results reveal that phenol based rigid mesogenic diols have high thermal stability and degree of crystallinity than methyl substituted rigid mesogenic diols.

}, keywords = {Azoxy, degree of crystallinity, diol, mesogen, phenol, thermal stability}, issn = {0376-4699}, author = {Mulani, Khudbudin Baban and Ganjave, Nitin V. and Chavan, Nayaku} } @article { ISI:000343341100006, title = {Synthesis and characterization of hypercrosslinked hydroxyl functionalized co-polymer beads}, journal = {European Polymer Journal}, volume = {59}, year = {2014}, month = {OCT}, pages = {46-58}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Hydroxyl functionalized beaded copolymers were synthesized from 2-hydroxy ethyl methacrylate by suspension polymerization using two different crosslinking agents (EDMA, DVB) and diluents (1,1,2,2-tetrachloroethane, 1,2-dichlorobenzene). Microporous beads with high surface area were successfully synthesized and characterized by different techniques. Maximum surface area obtained was 564 m(2)/g bearing uniform, spherical as well as non-aggregation images of beads. Thermal properties such as DTG and DSC reveal that, type of crosslinker (flexible/rigid) is major while its concentration is minor parameter that affect decomposition and softening temperature of copolymer. Swelling ratio of copolymer beads was examined as a function of crosslinker and crosslink density. Swelling behavior is in accordance with copolymer-solvent interaction parameter. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Copolymer, Morphology, surface area, Suspension polymerization, Swelling ratio}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2014.07.001}, author = {Mane, Sachin and Ponrathnam, Surendra and Chavan, Nayaku} } @article { ISI:000336353000001, title = {Synthesis and characterization of triad based rigid mesogenic diols derived from hydroquinone and 4-hydroxybenzoic acid}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {53}, number = {5}, year = {2014}, month = {MAY}, pages = {591-596}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Triad based rigid mesogenic diols have been synthesized by four step synthesis method using protection-deprotection method. Hydroquinone and 4-hydroxy benzoic acid have been used as starting materials. Synthesized diols have been characterized by IR, H-1 and C-13 NMR, and mass spectroscopic methods. Thermal properties have been determined by thermo gravimetric analysis method and degree of crystallinity have been measured by wide angle X-ray technique. Substituted hydroquinones (methyl and chloro) have been used to study the effect of substitution on physical and thermal properties. Synthesis of rigid mesogenic diol monomer using p-hydroxy benzoic acid and hydroquinone is reported, which is a facile route. Hydrolysis of diacetate derivatives of rigid mesogenic diols is performed in good yields, even though two types of ester groups present in the same moiety, aromatic and aliphatic. The experimental results reveal that hydroquinone based rigid triad mesogenic diol have high thermal stability and degree of crystallinity as compared to methyl-and chloro-substituted rigid triad mesogenic diols.

}, keywords = {degree of crystallinity, ester hydrolysis, Mesogenic diols, spectral properties, Thermal properties}, issn = {0376-4699}, author = {Mulani, Khudbudin Baban and Ganjave, Nitin V. and Chavan, Nayaku} } @article { ISI:000341939000041, title = {Synthesis and electrochemical performance of a single walled carbon nanohorn-Fe3O4 nanocomposite supercapacitor electrode (vol 3, pg 21390, 2013)}, journal = {RSC Advances}, volume = {4}, number = {78}, year = {2014}, month = {SEP}, pages = {41483}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {2046-2069}, doi = {10.1039/c4ra90002b}, author = {Deshmukh, Ashvini B. and Shelke, Manjusha V.} } @article { ISI:000343072300047, title = {Synthesis and electrochemistry of pseudocapacitive multilayer fullerenes and MnO2 nanocomposites (vol 2, pg 2152, 2014)}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {40}, year = {2014}, month = {OCT}, pages = {17186}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {2050-7488}, doi = {10.1039/c4ta90149e}, author = {Azhagan, Muniraj Vedi Kuyil and Vaishampayan, Mukta V. and Shelke, Manjusha V.} } @article { ISI:000330048400019, title = {Synthesis and electrochemistry of pseudocapacitive multilayer fullerenes and MnO2 nanocomposites}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {7}, year = {2014}, month = {NOV}, pages = {2152-2159}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Electrode materials with efficient capabilities for ionic and electronic transport are key to high performance supercapacitors. Here, we demonstrate a simple and comparatively low temperature synthesis of functionalized multilayer fullerenes so called carbon nano-onions (CNOs) as the electrode for high performance electrochemical supercapacitors. The exohedral type supercapacitor formed due to nonporous CNOs showed higher specific capacitance than conventional graphitic/mesoporous/activated carbons. Surface redox functionalities of these CNOs add up to significant pseudocapacitance. Further in situ incorporation of MnO2 nanoparticles to these CNOs increased the specific capacitance up to 1207 F g(-1), which is close to the theoretical value of pseudocapacitive MnO2.

}, issn = {2050-7488}, doi = {10.1039/c3ta14076h}, author = {Azhagan, Muniraj Vedi Kuyil and Vaishampayan, Mukta V. and Shelke, Manjusha V.} } @article { ISI:000332351800006, title = {Synthesis and in situ observation of 3D super lattices of gold nanoparticles using oil-in-water emulsion}, journal = {Journal of Colloid and Interface Science}, volume = {420}, year = {2014}, month = {APR}, pages = {41-49}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

In this work oil-in-water emulsion has been successfully used as a confined environment to grow 3D superlattices of gold nanoparticles. The superlattices were grown from 5 nm uniform gold nanoparticles using slow destabilization method. The confined environment was created by forming a stable emulsion where the gold colloid suspended in toluene was used as oil phase. Superlattices were also formed in bulk solution using the same slow destabilization method. A comparative study reveals that compact superlattices form more readily inside the emulsion drops as compared to bulk precipitation. The unstable colloid (in bulk or as emulsion) was aged for various periods at 5 degrees C to form more compact superlattices. The best superlattices with sharp corners are observed when the superlattices are formed inside the emulsion and aged for a month. Two key parameters, the incubation temperature and anti-solvent concentration, are optimized to obtain larger superlattices with sharp features. A new method is also demonstrated for in situ observation of superlattice formation using an optical microscope. 2014 Elsevier Inc. All rights reserved.

}, keywords = {3D nanocrystal superlattices, In situ observation of superlattice formation, Monodisperse gold nanoparticles, Nanocrystal superlattices}, issn = {0021-9797}, doi = {10.1016/j.jcis.2013.12.060}, author = {Dutta, Ankur and Chakraborty, Jayanta and Bhagavatula L. V. Prasad and Sahu, Puspanjali} } @article { ISI:000338820600009, title = {Synthesis and luminescence of graphene-nano calcium sulphide composite}, journal = {Materials Chemistry and Physics}, volume = {147}, number = {1-2}, year = {2014}, month = {SEP}, pages = {57-64}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Graphene-nanocrystalline calcium sulphide has been synthesized using in-situ reduction of calcium salt and graphene oxide. Graphene oxide was prepared using Hummer{\textquoteright}s method. Surface morphology and crystal structure of samples were observed by transmission electron microscopy (TEM) and X-Ray diffraction (XRD). Ultra thin graphene and graphene oxide sheets with size ranging between tens to several hundreds of square nanometers are observed in TEM images. The TEM micrographs of G-CaS show that CaS particles are embedded in graphene sheets and the average particle size of CaS particles in the composite is less than 50 nm. The reduction in the intensity of various functional groups in FTIR spectrum also confirms the formation of graphene. The UV-Visible spectra of CaS shows absorption peak at 220 nm with a small shoulder at 250 nm whereas in G-CaS 220 nm absorption peak has reduced intensity and the shoulder at 250 nm has now shifted to 270 nm due to modification in the defect structure of CaS by graphene. CaS and G-CaS shows photoluminescence emission at 470 nm (lambda(exc.) = 375 nm) and 440 nm (lambda(exc.) = 350 nm) respectively, however emission intensity of G-CaS is relatively lower than CaS. Although the emission intensity is found to be lower than CaS, addition of CaS to graphene in G-CaS complex has made graphene luminescent. XPS spectra also indicate reduction of various oxygen containing functional groups in highly reduced graphene oxide and G-CaS. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Luminescence, Nanostructures, powder diffraction, Precipitation}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2014.04.006}, author = {Sharma, Geeta and Patil, K. R. and Gosavi, S. W.} } @article { ISI:000331904500008, title = {Synthesis and reactivity of magnetically diverse Au@ Ni core-shell nanostructures}, journal = {Particle \& Particle Systems Characterization}, volume = {31}, number = {2}, year = {2014}, month = {FEB}, pages = {236-244}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Core-shell bimetallic Au@Ni nanoparticles, with gold cores and thin nickel shells with overall size less than 10 nm, are synthesized and stabilized in pure cubic (fcc) and hexagonal (hcp) phase. Due to their unique crystal, electronic, and geometric structure, they show interesting magnetic and chemical properties. The Au@Ni-fcc is magnetic, whereas Au@Ni-hcp is non-magnetic. Both the bimetallic nanostructures are stable to surface oxidation until 150 degrees C and show excellent catalytic activity for p-nitrophenol reduction reaction.

}, keywords = {Au-Ni nanoparticles, bimetallic nanostructures, magnetic core-shell nanoparticles, oxidation resistance}, issn = {0934-0866}, doi = {10.1002/ppsc.201300195}, author = {Bharathan, Vysakh A. and Raj, Govind K. and Joy, Pattayil Alias and Vinod, Chathakudath P.} } @article { ISI:000340149800003, title = {Synthesis, characterization, and crystal structure determination of palladacycles of para-substituted 2-thiobenzylazobenzenes}, journal = {Journal of Coordination Chemistry}, volume = {67}, number = {10}, year = {2014}, month = {JUN}, pages = {1702-1714}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Bichelated neutral palladacycles (1-3), [Pd(L)Cl], were synthesized from reaction of the new potential tridentate (C,N,S) ligands, 2-thiobenzylazobenzene (L-1), 4{\textquoteright}-methyl-2-thiobenzylazobenzene (L-2), and 4{\textquoteright}-chloro-2-thiobenzylazobenzene (L-3) with sodium tetrachloropalladate(II), Na-2[PdCl4], in ethanol. The compounds were characterized by elemental analysis, FT-IR, H-1 NMR, UV-visible, and thermogravimetric analysis. The crystal structures of L-2 and 1-3 were determined by single-crystal X-ray diffraction. In 1-3, the geometry around palladium remains almost square planar, coordinated to carbon, nitrogen, and sulfur of the ligand forming a bichelated cyclopalladate complex. The C-H center dot center dot center dot Cl type intermolecular hydrogen bonds, weak pi center dot center dot center dot pi, C-H center dot center dot center dot pi, and van der Waals interactions are believed to be the stabilizing forces for the crystal packing of these palladacycles.

}, keywords = {2-Thiobenzylazobenzene, CNS-donor ligand, crystal structure, Palladacycles, Thermogravimetric analysis}, issn = {0095-8972}, doi = {10.1080/00958972.2014.922683}, author = {Bhattacharjee, Tirtha and Kalita, Mukul and Chakravarty, Debamitra K. and Barman, Pranjit and Puranik, Vedavati G.} } @article { ISI:000343671700036, title = {Synthesis, characterization and in vitro study of biocompatible cinnamaldehyde functionalized magnetite nanoparticles (CPGF Nps) for hyperthermia and drug delivery applications in breast cancer}, journal = {Plos One}, volume = {9}, number = {9}, year = {2014}, month = {SEP}, pages = {e107315}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Cinnamaldehyde, the bioactive component of the spice cinnamon, and its derivatives have been shown to possess anticancer activity against various cancer cell lines. However, its hydrophobic nature invites attention for efficient drug delivery systems that would enhance the bioavailability of cinnamaldehyde without affecting its bioactivity. Here, we report the synthesis of stable aqueous suspension of cinnamaldehyde tagged Fe3O4 nanoparticles capped with glycine and pluronic polymer (CPGF NPs) for their potential application in drug delivery and hyperthermia in breast cancer. The monodispersed superparamagnetic NPs had an average particulate size of similar to 20 nm. TGA data revealed the drug payload of similar to 18\%. Compared to the free cinnamaldehyde, CPGF NPs reduced the viability of breast cancer cell lines, MCF7 and MDAMB231, at lower doses of cinnamaldehyde suggesting its increased bioavailability and in turn its therapeutic efficacy in the cells. Interestingly, the NPs were non-toxic to the non-cancerous HEK293 and MCF10A cell lines compared to the free cinnamaldehyde. The novelty of CPGF nanoparticulate system was that it could induce cytotoxicity in both ER/PRpositive/Her2 negative (MCF7) and ER/PRnegative/Her2 negative (MDAMB231) breast cancer cells, the latter being insensitive to most of the chemotherapeutic drugs. The NPs decreased the growth of the breast cancer cells in a dose-dependent manner and altered their migration through reduction in MMP-2 expression. CPGF NPs also decreased the expression of VEGF, an important oncomarker of tumor angiogenesis. They induced apoptosis in breast cancer cells through loss of mitochondrial membrane potential and activation of caspase-3. Interestingly, upon exposure to the radiofrequency waves, the NPs heated up to 41.6 degrees C within 1 min, suggesting their promise as a magnetic hyperthermia agent. All these findings indicate that CPGF NPs prove to be potential nano-chemotherapeutic agents in breast cancer.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0107315}, author = {Wani, Kirtee D. and Kadu, Brijesh S. and Mansara, Prakash and Gupta, Preeti and Deore, Avinash V. and Chikate, Rajeev C. and Poddar, Pankaj and Dhole, Sanjay D. and Kaul-Ghanekar, Ruchika} } @article { ISI:000330147900013, title = {Synthesis, characterization and molecular structures of homologated analogs of 2-bromo-3-(n-alkylamino)-1,4-napthoquinone}, journal = {Journal of Molecular Structure}, volume = {1056}, year = {2014}, month = {JAN}, pages = {97-103}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Four analogues of 2-bromo-3-(n-alkylamino)-1,4-napthoquinone (where n-alkyl is methyl in L-1Br, ethyl in L-2Br, propyl in L-3Br and butyl in L-4Br) are synthesized and characterized. A reaction mechanism is proposed for the formation of L-1 Br to L-4Br from the starting material 2,3-dibromo-1,4-naphthoquinone. The v(N-H) frequency in the FT-IR spectra is affected by the intramolecular hydrogen bonding in L-1Br to L-4Br and is observed similar to 3267 cm(-1) in L-2Br. A shift of similar to 25 cm(-1) is observed in the v(C-Br) frequency in all the compounds as compared to 2,3-dibromo-1,4-naphthoquinone (627 cm(-1)). A broad charge transfer band is observed between 400 and 600 nm in the UV-Vis spectra, which imparts red colour to all the compounds. Molecular structures of L-2Br and L-3Br were studied by single crystal X-ray diffraction studies. Molecules of L-2Br crystallize in Pca2(1), whereas the molecule L-3Br crystallizes in the P-1 space group. Molecules of L-2Br forms a polymeric chain through N-H...O interaction and forms beautiful butterfly like arrangement of molecules when viewed down the {\textquoteleft}a{\textquoteright} axis. Ladder like polymeric chain of molecules is observed in L-3Br via C-H...O and N-H...O interactions. Every alternating neighbouring chains of L-3Br, show pi-pi stacking interactions between the quinonoid rings of the molecules, however this interaction is not observed in L-2Br. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {2, 3-Dibromo-1, 4-naphthoquinone, Aminonaphthoquinone, hydrogen bonding, Michael addition, pi-pi stacking}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2013.10.016}, author = {Salunke-Gawali, Sunita and Pawar, Omkar and Nikalje, Milind and Patil, Rishikesh and Weyhermueller, Thomas and Puranik, Vedavati G. and Konkimalla, V. Badireenath} } @article { ISI:000338348000023, title = {Synthesis, characterization and photocatalytic behavior of TiO2-SiO2 mesoporous composites in hydrogen generation from water splitting}, journal = {Journal of Materials Science}, volume = {49}, number = {18}, year = {2014}, month = {SEP}, pages = {6383-6391}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

TiO2-SiO2 mesoporous composite photocatalysts with different proportions (in wt\%) of TiO2 and SiO2 (TiO2-SiO2 = 20:80, 40:60, 60:40, 80:20 and 100:0) were prepared by loading TiO2 on as-synthesized Si-MCM-41 using sol-gel method. The physicochemical properties of composites were investigated by powder X-ray diffraction, N-2 adsorption-desorption measurements, transmission electron microscopy and UV-Vis diffuse reflectance spectroscopy. It is revealed that the titanium species are dispersed as TiO2 having interaction with the surface of the support. Even at high TiO2 loading, the mesostructural feature of MCM-41 was found to be intact without pore blockages. The change in morphology of TiO2 particle was observed with increase in TiO2 loading which may be due to different environment for the growth of TiO2. The photocatalytic evaluation of composites was carried out in production of hydrogen by water splitting. Among the prepared samples, mesoporous composite containing 60 \% TiO2 (MTi60) has shown the best results (0.08805 mmol of H-2/h/g of TiO2) compared to other composite photocatalysts. The catalytic performance of this sample was further enhanced (similar to 8 times) after loading 1 \% Pt in water splitting (0.70161 mmol of H-2/h/g of TiO2). 1 \% Pt loaded on pure TiO2 (MTi100) showed hydrogen evolution of the magnitude 0.26 mmol of H-2/h/g of TiO2. TiO2-SiO2 mesoporous composite photocatalyst showed much higher activity (similar to 1.9 times) than amorphous silica-embedded titania catalyst having same composition.

}, issn = {0022-2461}, doi = {10.1007/s10853-014-8365-2}, author = {Niphadkar, P. S. and Chitale, S. K. and Sonar, S. K. and Deshpande, Suvarna S. and Joshi, P. N. and Awate, S. V.} } @article { ISI:000339378200013, title = {Synthesis of 2,5-furandicarboxylic acid by the aerobic oxidation of 5-hydroxymethyl furfural over supported metal catalysts}, journal = {Reaction Kinetics Mechanisms and Catalysis}, volume = {112}, number = {1}, year = {2014}, month = {JUN}, pages = {173-187}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Supported Pt catalysts are synthesized, characterized and are used in the liquid phase air oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA). Under the optimum reaction conditions of a stepwise increase in the reaction temperature (75 and 140 degrees C for 12 h each), we achieved as high as 96 \% FDCA yield in presence of 1 bar oxygen pressure over Pt/c-Al2O3. It is shown that as the oxygen pressure increases (1-10 bar), the FDCA yields decrease, since at higher partial pressure of oxygen, overoxidation reactions of substrate and product(s) are possible. It is interesting to note that even with air as an oxidant, we obtained similar yields of FDCA as that with oxygen. Moreover, the effects of base (weak or strong), its concentration (equimolar or excess) were studied in detail. It is important to increase the reaction temperature in a stepwise manner to achieve higher yields of FDCA since at higher temperatures HMF undergoes self-degradation and thus the yields of FDCA decrease. The self-degradation of HMF is also proved by undertaking the reaction under nitrogen environment. The study on the effect of substrate-to-catalyst ratio is done to improve up on the economics of overall process. The effect of supports (reducible and non-reducible) and their oxygen storage capacity is discussed and is proposed to be one of the factors to change the course of reaction. Furthermore, we have shown that FDCA formed in the reaction can be successfully isolated (91 \%, isolated yield) in the pure form and its purity is confirmed by NMR, melting point, and elemental analysis. The catalysts were characterized with X-ray powder diffraction, transmission electron microscopy and inductively coupled plasma-optical emission spectroscopy techniques.

}, keywords = {Biomass, FDCA, green chemistry, heterogeneous catalyst, HMF, Impregnation, Oxidation}, issn = {1878-5190}, doi = {10.1007/s11144-014-0689-z}, author = {Sahu, Ramakanta and Dhepe, Paresh Laxmikant} } @article { ISI:000344525500041, title = {Synthesis of a recyclable and efficient Pd(II) 4-(2-pyridyl)-1,2,3-triazole complex over a solid periodic mesoporous organosilica support by {\textquoteleft}{\textquoteleft}click reactions{\textquoteright}{\textquoteright} for the stille coupling reaction}, journal = {RSC Advances}, volume = {4}, number = {81}, year = {2014}, month = {AUG}, pages = {43070-43079}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A highly efficient, reusable B-PMO-TZ-Pd(II) catalyst was synthesized by anchoring 4-(2-pyridyl)-4-(2-pyridyl)-1,2,3-triazole ligand over the surface of an organo-functionalized benzene support containing periodic mesoporous organosilica (B-PMO) via {\textquoteleft}{\textquoteleft}click reaction{\textquoteright}{\textquoteright} and the subsequent complexation with PdCl2. B-PMO materials with uniform hexagonal arrangements were prepared using C-16 alkyl trimethyl ammonium bromide [CTAB] surfactant under basic conditions. The physiochemical properties of the functionalised catalyst were analysed by elemental analysis, ICP-OES, XRD, N-2 sorption, TGA \& DTA, solid state C-13, Si-29 NMR spectra, FT-IR, XPS, UV-vis, SEM and TEM. XRD and N-2 sorption revealed the morphological and textural properties of the synthesized catalyst, confirming that ordered mesoporous channel structure was retained even after the multistep synthetic procedure. The (100), (110) and (200) reflections in B-PMO are evidence of its good structural stability and the existence of long range order. The TGA-DTA results reveal that the synthesized catalyst B-PMO-TZ-Pd(II) was thermally stable, even at high temperature. The organic moieties anchored over the surface of B-PMO were demonstrated by solid state C-13 NMR and FT-IR spectroscopy. Solid state Si-29 NMR spectroscopy provides information about the degree of functionalization of the surface silanol group. The electronic environment and oxidation state of Pd in B-PMO-TZ-Pd(II) were monitored by XPS and UV-visible techniques. Moreover, the morphologies and topographic information of the synthesized B-PMO-TZ-Pd(II) catalyst were confirmed by SEM and TEM analyses. The catalytic properties of the catalyst for the Stille coupling reaction were screened, and higher catalytic activities with high TONs were observed. The anchored solid B-PMO-TZ-Pd(II) catalyst can be recycled efficiently and reused several (four) times without a major loss in reactivity.

}, issn = {2046-2069}, doi = {10.1039/c4ra06459c}, author = {Sharma, Priti and Singh, A. P.} } @article { ISI:000340525300012, title = {Synthesis of alpha,beta-unsaturated delta-lactones by vinyl acetate mediated asymmetric cross-aldol reaction of acetaldehyde: mechanistic insights}, journal = {European Journal of Organic Chemistry}, number = {24}, year = {2014}, month = {AUG}, pages = {5247-5255}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A tandem asymmetric cross-aldol reaction involving the in situ generation of acetaldehyde from vinyl acetate has been developed that may resolve the challenges associated with the handling of acetaldehyde. The simple protocol, mild reaction conditions and unique harmony of an organocatalyst with a biocatalyst make this method a valuable tool for the synthesis of asymmetric beta-hydroxy aldehydes. By using this methodology we have accessed alpha,beta-unstaurated delta-lactones as well as isochromenones with high enantioselectivities from both asymmetric beta-hydroxy aldehydes and ketones. Systemic density functional theory (DFT) studies were also performed to gain mechanistic insights into the role of hydrogen bonding in the asymmetric cross-aldol reaction of acetaldehyde and in the key cis/trans isomerisation step in the synthesis of d-lactones.

}, keywords = {Aldol reactions, asymmetric catalysis, lactones, reaction mechanisms}, issn = {1434-193X}, doi = {10.1002/ejoc.201402551}, author = {Kumar, Manjeet and Kumar, Arvind and Rizvi, Masood and Mane, Manoj and Vanka, Kumar and Taneja, Subhash C. and Shah, Bhahwal Ali} } @article { ISI:000330779900044, title = {Synthesis of an efficient heteroatom-doped carbon electro-catalyst for oxygen reduction reaction by pyrolysis of protein-rich pulse flour cooked with SiO2 nanoparticles}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {9}, year = {2014}, month = {JAN}, pages = {4251-4259}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Development of a highly durable, fuel-tolerant, metal-free electro-catalyst for oxygen reduction reaction (ORR) is essential for robust and cost-effective Anion Exchange Membrane Fuel Cells (AEMFCs). Herein, we report the development of a nitrogen-doped (N-doped) hierarchically porous carbon-based efficient ORR electrocatalyst from protein-rich pulses. The process involves 3D silica nanoparticle templating of the pulse flour(s) followed by their double pyrolysis. The detailed experiments are performed on gram flour (derived from chickpeas) without any in situ/ex situ addition of dopants. The N-doped porous carbon thus generated shows remarkable electrocatalytic activity towards ORR in the alkaline medium. The oxygen reduction on this material follows the desired 4-electron transfer mechanism involving the direct reduction pathway. Additionally, the synthesized carbon catalyst also exhibits good electrochemical stability and fuel tolerance. The results are also obtained and compared with the case of soybean flour having higher nitrogen content to highlight the significance of different parameters in the ORR catalyst performance.

}, issn = {1463-9076}, doi = {10.1039/c3cp55396e}, author = {Gokhale, Rohan and Unni, SreeKuttan M. and Puthusseri, Dhanya and Kurungot, Sreekumar and Ogale, Satishchandra} } @article { ISI:000341070100010, title = {Synthesis of chenopanone}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {53}, number = {8}, year = {2014}, month = {AUG}, pages = {1140-1142}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Starting from glyoxalic acid, a facile three step approach to chenopanone has been described utilizing the Barbier reaction as a key step.

}, keywords = {acid hydrolysis, Barbier reaction, chenopanone, condensation, Glyoxalic acid, isovaleraldehyde, synthesis}, issn = {0376-4699}, author = {Deore, Prashant S. and N. P. Argade} } @article { ISI:000333686000001, title = {Synthesis of ciprofloxacin-conjugated poly(L-lactic acid) polymer for nanofiber fabrication and antibacterial evaluation}, journal = {International Journal of Nanomedicine}, volume = {9}, year = {2014}, month = {MAR}, pages = {1463-1477}, publisher = {DOVE MEDICAL PRESS LTD}, address = {PO BOX 300-008, ALBANY, AUCKLAND 0752, NEW ZEALAND}, abstract = {

Ciprofloxacin was conjugated with polylactide (PLA) via the secondary amine group of the piperazine ring using PLA and 7-(4-(2-Chloroacetyl) piperazin-1-yl)-1-cyclopropyl-6-fluoro-1, 4-dihydro-4-oxoquinoline-3-carboxylic acid. Zinc prolinate, a biocompatible catalyst was synthesized, characterized, and used in ring opening polymerization of L-lactide. Five different kinds of OH-terminated poly(L-lactide) (two-, three-, four-, six-arm, star-shaped) homopolymers were synthesized by ring opening polymerization of L-lactide in the presence of dodecanol, glycerol, pentaerythritol, dipentaerythritol as initiator and zinc prolinate as a catalyst. The structures of the polymers and conjugates were thoroughly characterized by means of gel permeation chromatography, matrix-assisted laser desorption/ionization-time of flight mass spectrometry, and nuclear magnetic resonance spectroscopy. PLA (molecular weight = 100,000) and ciprofloxacin conjugated PLA were used for fabrication of nonwoven nanofiber mat (diameter ranges; 150-400 nm) having pore size (62-102 nm) using electrospinning. The microbiological assessment shows that the release of ciprofloxacin possesses antimicrobial activity. The drug-release behavior of the mat was studied to reveal potential application as a drug delivery system. The result shows that the ciprofloxacin release rates of the PLA conjugate nonwoven nanofiber mat could be controlled by the drug loading content and the release medium. The development of a biodegradable ciprofloxacin system, based on nonwoven nanofiber mat, should be of great interest in drug delivery systems.

}, keywords = {antibacterial activity, ciprofloxacin conjugated polylactides, CP-PLA, drug release, electrospinning, MDR, nonwoven nanofibers, zinc prolinate}, issn = {1178-2013}, doi = {10.2147/IJN.S54971}, author = {Parwe, Sharad P. and Chaudhari, Priti N. and Mohite, Kavita K. and Selukar, Balaji S. and Nande, Smita S. and Garnaik, Baijayantimala} } @article { ISI:000340579200011, title = {Synthesis of fatty monoester lubricant base oil catalyzed by Fe-Zn double-metal cyanide complex}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {4}, year = {2014}, month = {JUL}, pages = {997-1003}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Fatty monoester lubricant base oils as high as 96.7 mol\% were prepared by reacting methyl oleate with long-chain alcohols viz., 2-ethyl-1-hexanol (C-8-OH), 1-decanol (C10OH) and 1-dodecanol (C12OH) in the presence of a solid Fe-Zn double-metal cyanide (DMC) complex catalyst. Unlike many other acid catalysts, DMC doesn{\textquoteright}t produce undesired ether side products. The catalyst was reusable in four recycling experiments with little loss in catalytic activity and ester yield. The long-chain esters prepared in the study have the desired physical properties for their application as lubricant base oils.

}, keywords = {Fatty monoester, Fe-Zn double-metal cyanide (DMC) catalyst, lubricant base oil, transesterification}, issn = {0974-3626}, author = {Raut, Ravindra K. and Shaikh, Mehejabeen and Darbha, Srinivas} } @article {42442, title = {Synthesis of functionalized coumarins and quinolinones by NHC-catalyzed annulation of modified enals with heterocyclic C-H acids}, journal = {Journal of Organic Chemistry}, volume = {79}, year = {2014}, month = {APR}, pages = {4245{\textendash}4251}, abstract = {

N-Heterocyclic carbene (NHC) catalyzed lactonization and lactamization of 2-bromoenals with heterocyclic C{\textendash}H acids proceeding via the α,β-unsaturated acyl azolium intermediates is reported. The reaction furnished coumarin- or quinolinone-fused lactone/lactam derivatives. In addition, results of the enantioselective version of this reaction using chiral NHC are presented.

}, doi = {10.1021/jo500693h}, author = {Yetra, Santhivardhana Reddy and Roy, Tony and Bhunia, Anup and Porwal, Digvijay and Biju, Akkattu T.} } @article { ISI:000344379900113, title = {Synthesis of green nano iron particles (GnIP) and their application in adsorptive removal of As(III) and As(V) from aqueous solution}, journal = {Applied Surface Science}, volume = {317}, year = {2014}, month = {OCT}, pages = {1052-1059}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{The present study reports a new approach to synthesise nano iron particles using leaf extract of Mint (Mentha spicata L.) plant. The synthesised GnIPs were subjected to detailed adsorption studies for removal of arsenite and arsenate from aqueous solution of defined concentration. Iron nanoparticles synthesised using leaf extract showed UV-vis absorption peaks at 360 and 430 nm. TEM result showed the formation of polydispersed nanoparticles of size ranging from 20 to 45 nm. Nanoparticles were found to have core-shell structure. The planer reflection of selected area electron diffraction (SAED) and XRD analysis suggested that iron particles were crystalline and belonged to fcc (face centred cubic) type. Energy-dispersive X-ray analysis (EDAX) shows that Fe was an integral component of synthesised nanoparticles. The content of Fe in nanoparticles was found to be 40\%, in addition to other elements like C (16\%), 0 (19\%) and Cl (23\%). FT-IR study suggested that functional groups like NH

}, keywords = {Adsorption, Arsenate, Arsenite, Iron nanoparticles, kinetics, M. spicata L.}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2014.09.042}, author = {Prasad, Kumar Suranjit and Gandhi, Pooja and Selvaraj, Kaliaperumal} } @article { ISI:000342568800011, title = {Synthesis of (+)-harmicine}, journal = {Synthesis-Stuttgart}, volume = {46}, number = {19}, year = {2014}, month = {OCT}, pages = {2591-2594}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A facile convergent access to the important indole alkaloid (+)-harmicine is described, starting from tryptamine and (R)-acetoxysuccinic anhydride via the corresponding acetoxysuccinimide in very good overall yield. Regioselective reduction of an unsymmetrical imide carbonyl group and acid-catalyzed stereoselective intramolecular cyclization were the key features involved. The directing group to induce asymmetry was finally detached via the corresponding iodide by using tributyltin hydride chemistry.

}, keywords = {alkaloids, cyclization, imides, reduction, stereoselective synthesis}, issn = {0039-7881}, doi = {10.1055/s-0034-1378381}, author = {Mondal, Pravat and N. P. Argade} } @article { ISI:000330816000048, title = {Synthesis of the central tricyclic core of the isatisine A: harmonious orchestration of [metal]-catalyzed reactions in a sequence}, journal = {Tetrahedron}, volume = {70}, number = {2}, year = {2014}, month = {JAN}, pages = {510-516}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Two sequential metal-catalyzed transformations, involving [In]-catalyzed Friedel Crafts type addition of spiroaminol carbon to indole C3 followed by [Rh]-catalyzed dehydrogenative cyclization of the resulting gamma-amino alcohol culminated in the construction of the central tricyclic core isatisine A. The overall strategy employed three easily available starting compounds and delivered the complex tricyclic core in four steps with all four steps being catalytic in nature. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Dehydrogenative cyclization, Friedel-Crafts reaction, Indium chloride, Isatisine A, Rhodium, Spiro-3-indolinone}, issn = {0040-4020}, doi = {10.1016/j.tet.2013.11.026}, author = {Patel, Pitambar and Reddy, B. Narendraprasad and Ramana, C. V.} } @article { ISI:000328005400055, title = {Synthesis, spectroscopic characterization and structural investigations of new adduct compound of carbazole with picric acid: DNA binding and antimicrobial studies}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {118}, year = {2014}, month = {JAN}, pages = {399-406}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Carbazole picrate (CP), a new organic compound has been synthesized, characterized by various analytical and spectroscopic technique such as FT-IR, UV-Vis, H-1 and C-13 NMR spectroscopy. An orthorhombic geometry was proposed based on single crystal XRD study. The thermal stability of the crystal was studied by using thermo-gravimetric and differential thermal analyses and found that it was stable up to 170 degrees C. Further, the newly synthesized title compound was tested for its in vitro antibacterial and antifungal activity against various bacterial and fungal species. Also, the compound was tested for its binding activity with Calf thymus (CT) DNA and the results show a considerable interaction between CP and CT-DNA. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Antimicrobial activity and DNA-interaction, CP adduct, Single crystal XRD, TG-DTA}, issn = {1386-1425}, doi = {10.1016/j.saa.2013.08.115}, author = {Saravanabhavan, Munusamy and Sathya, Krishnan and Puranik, Vedavati G. and Sekar, Marimuthu} } @article { ISI:000331483800028, title = {Synthesis, structure, spectral, electrochemical and sensing properties of 3-amino boron-dipyrromethene and its derivatives}, journal = {Dyes and Pigments}, volume = {102}, year = {2014}, month = {MAR}, pages = {218-227}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

We report the synthesis of 3-amino boron-dipyrromethene (3-amino BODIPY) by treating 3-bromo boron-dipyrromethene (3-bromo BODIPY) initially with sodium azide in acetonitrile followed by tri-phenylphosphine(PPh3)/H2O in tetrahydrofuran in three steps under mild reaction conditions. In this reaction, 3-azido BODIPY which formed in the first step was not isolated but the 3-iminophosphorane BODIPY which formed in the second step was isolated and characterized crystallographically. The 3-amino BODIPY was characterized by various spectroscopic and X-ray analytical techniques. To test the reactivity of amine functionality on BODIPY core, we prepared 1-(meso-anisyl BODIPY)-3-phenyl urea/thiourea derivatives under simple reaction conditions. Our studies indicated that 1-(meso-anisyl BODIPY)-3-pheny thiourea can act as specific chemodosimetric sensor for Hg2+ ion and 1-(meso-anisyl BODIPY)-3-phenyl urea as colorimetric and ratiometric sensor for F- ion. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {3-Amino boron dipyrromethene, Chemodosimeter, F sensor, Fluorescent probes, Iminophosphorane BODIPY, Mercury(II) sensor}, issn = {0143-7208}, doi = {10.1016/j.dyepig.2013.10.038}, author = {Ganapathi, Emandi and Madhu, Sheri and Chatterjee, Tamal and Gonnade, Rajesh G. and Ravikanth, Mangalampalli} } @article { ISI:000209665000005, title = {Synthetic precursor to vertical TiO2 nanowires}, journal = {Materials Research Express}, volume = {1}, number = {2}, year = {2014}, month = {JUN}, pages = {025005}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

An easy protocol for improvement in formation of the photoanode in a dye sensitized solar cell is addressed. Specifically, a novel synthesis for the formation of a TiO2 precursor: titanium butanediolate, is detailed. This precursor is found to have higher thermal and temporal stability than commercially available TiO2 precursors and it has successfully been employed in the one-pot synthesis of rutile nanowires grown directly on a conducting substrate: fluorine doped tin oxide (FTO). This synthesis has been further extended to directly form a mixed phase TiO2 film consisting of rutile nanowires along with anatase spherical particles on FTO and this assembly has been used as the photoanode in a dye-sensitized solar cell. The synergistic effect of the two phases has provided a net DSSC efficiency of 4.61\% with FF = 61\%.

}, keywords = {Nanomaterials, Nanowires, TiO2}, issn = {2053-1591}, doi = {10.1088/2053-1591/1/2/025005}, author = {Mishra, Biswajit and Ghildiyal, P. and Agarkar, Shruti A. and Khushalani, Deepa} } @article { ISI:000343985600001, title = {Synthetic turn mimetics and hairpin nucleators: quo vadimus?}, journal = {Chemical Communications}, volume = {50}, number = {90}, year = {2014}, month = {OCT}, pages = {13874-13884}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Structural mimicry of peptides has witnessed perceptible progress in the last three decades. Reverse turn and beta-hairpin units are the smallest secondary structural motifs that are some of the most scrutinized functional cores of peptides and proteins. The practice of mimicking, without altering the function of the bioactive core, ranges from conformational locking of the basic skeleton to total replacement of structural architecture using synthetic analogues. Development of heterogeneous backbones - using unnatural residues in place of natural ones - has broadened further opportunities for efficient structural rigidification. This feature article endeavours to trail the path of progress achieved hitherto and envisage the possibilities that lie ahead in the development of synthetic turn mimetics and hairpin nucleators.

}, issn = {1359-7345}, doi = {10.1039/c4cc03114h}, author = {Nair, Roshna V. and Baravkar, Sachin B. and Ingole, Tukaram S. and Sanjayan, Gangadhar J.} } @article { ISI:000333551200039, title = {Systematic evaluation of tetra-n-butyl ammonium bromide (TBAB) for carbon dioxide capture employing the clathrate process}, journal = {Industrial \& Engineering Chemistry Research}, volume = {53}, number = {12}, year = {2014}, month = {MAR}, pages = {4878-4887}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Hydrate based gas separation (HBGS) process for the precombustion capture of CO2 from a fuel gas mixture is a novel method being investigated among the carbon capture and sequestration techniques to reduce CO2 emissions. The efficiency of the HGBS process can be improved by using promoters that reduce the formation pressure of mixed gas hydrates. In this study the effect of tetra-n-butyl ammonium bromide (TBAB) was systematically investigated at a constant temperature of 279.2 K and pressure of 6.0 MPa for different TBAB concentrations of 0.3, 1.0, 1.5, 2.0, and 3.0 mol \%, respectively. The 0.3 mol \% solutions had a relatively longer average induction time of 20.1 min but exhibited the highest total normalized gas uptake of 0.0104 (+/- 0.0004) mol of gas/mol of water and highest separation factor of 41.51 (+/- 6.391). On the other hand, the 1.0 mol \% solution had very short average induction time (\<0.5 min) and it had the highest hydrate growth rate of 60.8 (+/- 9.89) mol of gas. min(-1).m(-3), with the separation factor of 13.78 (+/- 3.30). Gas solubility measurements and microscopic images of the hydrate formation were also presented to provide greater insights into the effect of TBAB concentration on the gas uptake.

}, issn = {0888-5885}, doi = {10.1021/ie4043714}, author = {Babu, Ponnivalavan and Chin, Weng Inn and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000354255400032, title = {SBA-15-oxynitrides as a solid-base catalyst: effect of nitridation temperature on catalytic activity}, journal = {Angewandte Chemie-International Edition}, volume = {54}, number = {20}, year = {2015}, month = {MAY}, pages = {5985-5989}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Solid bases, such as SBA-15-oxynitrides, have attracted considerable interest for potential applications as catalysts in important industrial processes. Reported herein is that by simply tuning the temperature of nitridation (ammonolysis), the catalytic activity of these solid bases can be enhanced. Solid-state NMR spectroscopy and XPS studies provided the reasoning behind this change in activity.

}, keywords = {heterogeneous catalysis, Nanostructures, NMR spectroscopy, photoelectron spectroscopy, solid-state structures}, issn = {1433-7851}, doi = {10.1002/anie.201501015}, author = {Singh, Baljeet and Mote, Kaustubh R. and Gopinath, Chinnakonda S. and Madhu, Perunthiruthy K. and Polshettiwar, Vivek} } @article {45936, title = {Seeded on-surface supramolecular growth for large area conductive donor-acceptor assembly}, journal = {Chemical Communications}, volume = {51}, year = {2015}, month = {MAY}, pages = {10439-10442}, type = {Article}, abstract = {

Charge transport features of organic semiconductor assemblies are of paramount importance. However, large-area extended supramolecular structures of donor-acceptor combinations with controlled self-assembly pathways are hardly accessible. In this context, as a representative example, seeded on-surface supramolecular growth of tetrathiafulvalene and tetracyano-p-quinodimethane (TTF-TCNQ) using active termini of solution-formed sheaves has been introduced to form an extended assembly. We demonstrate for the first time, the creation of a large-area donor-acceptor assembly on the surface, which is practically very tedious, using a seeded, evaporation-assisted growth process. The excellent molecular ordering in this assembly is substantiated by its good electrical conductivity (similar to 10(-2) S cm(-1)). The on-surface assembly via both internally formed and externally added sheaf-like seeds open new pathways in supramolecular chemistry and device applications.

}, issn = {1359-7345}, doi = {10.1039/c5cc03091a}, author = {Goudappagouda and Chithiravel, Sundaresan and Krishnamoorthy, Kothandam and Gosavi, Suresh W. and Babu, Sukumaran Santhosh} } @article {45887, title = {Selective aerobic oxidation of alcohols over Au-Pd/sodium titanate nanotubes}, journal = {Catalysis Communications}, volume = {58}, year = {2015}, month = {JAN }, pages = {149-153}, type = {Article}, abstract = {

catalytic application of Au-Pd nanoparticles supported on sodium titanate nanotubes (NaTNTs) for liquid-phase aerobic oxidation of alcohols is reported, for the first time. This reaction occurs at 80-120 degrees C, 1 atm and solvent-/alkali-free conditions yielding the corresponding carbonyls in high selectivity. This catalyst was reusable and found to be more active/selective than the corresponding monometallic Au and Pd catalysts and Au-Pd/TiO2. Higher dispersion, smaller particle size and higher amount of electron density at gold are the causes for the superior activity of Au-Pd/NaTNT catalyst. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {aerobic oxidation, Alcohol, Bimetallic Au-Pd catalyst, Sodium titanate nanotubes, TiO2}, issn = {1566-7367}, doi = {10.1016/j.catcom.2014.09.018}, author = {Nepak, Devadutta and Darbha, Srinivas} } @article { ISI:000356201100007, title = {Selective and sensitive sensing of free bilirubin in human serum using water-soluble polyfluorene as fluorescent probe}, journal = {Macromolecules}, volume = {48}, number = {11}, year = {2015}, month = {JUN}, pages = {3449-3461}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The adherence of serum protein on conjugated polymer is a major bottleneck in the application of the latter for selective sensing of small biomolecules in blood serum. In this report, we present new polyfluorenes with d-glucuronic acid appendage that is a nonreceptor for any serum protein, thereby providing a platform for selective sensing of free bilirubin in the clinically relevant range of \<25 to \>50 mu mol/L in human blood serum. The appended d-glucuronic acid formed noncovalent interactions with bilirubin, which in conjunction with favorable spectral overlap between the polymers and bilirubin facilitated efficient FRET process in aqueous solutions. Addition of bilirubin resulted in the quenching of the polyfluorene emission with simultaneous appearance of bilirubin emission exhibiting visual emission color change from blue to light green. The polymer remained stable in serum even under severe basic conditions and exhibited high selectivity with visual sensitivity only toward free bilirubin in human serum in the presence of crucial interferences such as hemoglobin, proteins, biliverdin, glucose, cholesterol, and metal ions. Nanomolar sensing of bilirubin could also be demonstrated successfully using one of the d-glucuronic acid appended polymer (PF-Ph-GlcA), which could sense similar to 150 nm of bilirubin in human serum. The combined role of energy transfer and noncovalent interaction highlights the potential of the new polymer design for highly selective sensing activity in complex biofluids.

}, issn = {0024-9297}, doi = {10.1021/acs.macromol.5b00043}, author = {Senthilkumar, T. and Asha, S. K.} } @article { ISI:000355317200045, title = {Selective inhibition of miR-21 by phage display screened peptide}, journal = {Nucleic Acids Research}, volume = {43}, number = {8}, year = {2015}, month = {APR}, pages = {4342-4352}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {

miRNAs are nodal regulators of gene expression and deregulation of miRNAs is causally associated with different diseases, including cancer. Modulation of miRNA expression is thus of therapeutic importance. Small molecules are currently being explored for their potential to downregulate miRNAs. Peptides have shown to have better potency and selectivity toward their targets but their potential in targeting and modulating miRNAs remain unexplored. Herein, using phage display we found a very selective peptide against pre-miR-21. Interestingly, the peptide has the potential to downregulate miR-21, by binding to pre-miR-21 and hindering Dicer processing. It is selective towards miR-21 inside the cell. By antagonising miR-21 function, the peptide is able to increase the expression of its target proteins and thereby increase apoptosis and suppress cell proliferation, invasion and migration. This peptide can further be explored for its anti-cancer activity in vivo and may be even extended to clinical studies.

}, issn = {0305-1048}, doi = {10.1093/nar/gkv185}, author = {Bose, Debojit and Nahar, Smita and Rai, Manish Kumar and Ray, Arjun and Chakraborty, Kausik and Maiti, Souvik} } @article { ISI:000352905700046, title = {Selective interfacial synthesis of metal-organic frameworks on a polybenzimidazole hollow fiber membrane for gas separation}, journal = {Nanoscale}, volume = {7}, number = {16}, year = {2015}, month = {MAR}, pages = {7291-7298}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Metal-organic frameworks (MOFs) have gained immense attention as new age materials due to their tuneable properties and diverse applicability. However, efforts on developing promising materials for membrane based gas separation, and control over the crystal growth positions on polymeric hollow fiber membranes still remain key challenges. In this investigation, a new, convenient and scalable room temperature interfacial method for growing MOFs (ZIF-8 and CuBTC) on either the outer or inner side of a polybenzimidazole based hollow fiber (PBI-BuI-HF) membrane surface has been achieved in a controlled manner. This was made possible by the appropriate selection of an immiscible solvent pair and the synthetic conditions. The growth of MOFs on the PBI-BuI-HF membrane by the interfacial method was continuous and showed an appreciable gas separation performance, conveying promise for their applicability.

}, issn = {2040-3364}, doi = {10.1039/c5nr00299k}, author = {Biswal, Bishnu P. and Bhaskar, Anand and Banerjee, Rahul and Kharul, Ulhas K.} } @article { ISI:000352448800019, title = {Self-assembled vertically aligned gold nanorod super-lattices for ultra-high sensitive detection of molecules}, journal = {Nano Research}, volume = {8}, number = {3}, year = {2015}, month = {MAR}, pages = {907-919}, publisher = {TSINGHUA UNIV PRESS}, address = {TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 10084, PEOPLES R CHINA}, abstract = {

We show that self-assembled vertically aligned gold nanorod (VA-GNRs) superlattices can serve as probes or substrates for ultra-high sensitive detection of various molecules. D-glucose and 2,4,6-trinitrotoluene (TNT) have been chosen as model systems due to their very low Raman cross-sections (5.6 x 10(-30) cm(2).molecule(-1).sr(-1) for D-glucose and 4.9 x 10(-31) cm(2). molecule(-1).sr(-1) for TNT) to show that the VA-GNR superlattice assembly offers as low as yoctomole sensitivity. Our experiment on mixed samples of bovine serum albumin (BSA) and D-glucose solutions demonstrate sensitivity for the latter, and the possible extension to real samples. Self-assembled superlattices of VA-GNRs were achieved on a silicon wafer by depositing a drop of solvent containing the GNRs and subsequent solvent evaporation in ambient conditions. An additional advantage of the VA-GNR monolayers is their extremely high reproducible morphology accompanied by ultrahigh sensitivity which will be useful in many fields where a very small amount of analyte is available. Moreover the assembly can be reused a number of times after removing the already present molecules. The method of obtaining VA-GNRs is simple, inexpensive and reproducible. With the help of simulations of monolayers and multilayers it has been shown that superlattices can achieve better sensitivity than monolayer assembly of VA-GNRs.

}, keywords = {Nanostructures, Raman spectroscopy, self-assemblies, sensors, superlattices}, issn = {1998-0124}, doi = {10.1007/s12274-014-0572-2}, author = {Apte, Amey and Bhaskar, Prashant and Das, Raja and Chaturvedi, Smita and Poddar, Pankaj and Kulkarni, Sulabha} } @article { ISI:000355064000014, title = {Self-assembly directed template photopolymerization of perylenebisimide-poly (4-vinylpyridine): nano organization}, journal = {Polymer}, volume = {65}, year = {2015}, month = {MAY}, pages = {115-123}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A perylene bisimide derivative (PDP-UPBIAcry) having hydroxyl moieties at one termini and polymerizable acrylic units at the other termini was supramolecularly complexed with the pyridine units of Poly (4-vinyl pyridine) (P4VP), followed by photoinduced polymerization of the acrylic units to obtain lamellar organization in the \<10 nm range. H-1 NMR studies including variable temperature (20 degrees C-70 degrees C) measurements were undertaken in DMSO-d(6) (anhydrous, extra dry) to understand the interaction between PDP-UPBIAcry and P4VP. The aromatic perylene protons of PDP-UPBIAcry registered an upfield chemical shift while the pyridine protons of P4VP exhibited small downfield shift in their 1:1 supramolecular complex. The hydrogen bonding interaction between pyridyl nitrogen and phenolic OH group was also traced in non-polar media like CDCl3 in model complexes of 4-vinyl pyridine (4VP) with PDP-UPBIAcry. Wide angle X-ray diffraction (WXRD) technique was used to study the bulk structure. Transmission electron microscopy (TEM) imaging revealed highly ordered layered assembly formed upon complexation. Observation from DFT energy minimization studies were correlated with X-ray diffraction data of the supramolecular complex [P4VP (PDP-UPBIAcry)](1.0) to understand the nature of packing of PDP-UPBIAcry that lead to the formation of highly ordered lamellar stacks alternating with P4VP. The higher ordering in the supramolecular polymer complex was also confirmed by the quenching of fluorescence and reduced fluorescence life times of thin solid films of the [P4VP Poly(PDP-UPBIAcry)](1.0) sample. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {hydrogen bonding, P4VP, Perylenebisimide}, issn = {0032-3861}, doi = {10.1016/j.polymer.2015.03.062}, author = {Shinde, Shekhar and Asha, S. K.} } @article { ISI:000365401700041, title = {Self-assembly of phospholipids on flat supports}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {46}, year = {2015}, month = {OCT}, pages = {31152-31160}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The current study deals with the self-assembly of phospholipids on flat supports using the Martini coarse grain model. We reported here the effect of the hydrophilic and hydrophobic nature of the solid supports on the lipid self-assembly. The hydrophilic and hydrophobic supports were modeled on the basis of water droplet simulations. The present work addresses the self-assembly mechanism of lipids on eight different supports with different strengths of hydrophilicity and hydrophobicity. We demonstrated how interplay between the interactions of lipid and water with the support can guide the lipid self-assembly process. Thereafter, we calculated the energetics of the components of the system to quantify the competitions between water and a lipid head-group with hydrophilic supports. Finally, the properties of the self-assembled bilayers were also analyzed and reported here.

}, issn = {1463-9076}, doi = {10.1039/c5cp03358f}, author = {Mhashal, Anil R. and Roy, Sudip} } @article { ISI:000359444500009, title = {Self-similar rupture of thin free films of power-law fluids}, journal = {Physical Review E}, volume = {92}, number = {2}, year = {2015}, month = {AUG}, pages = {023014}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

The rupture of a thin free film of a power-law fluid under the competing influences of destabilizing van der Waals pressure and stabilizing surface tension pressure is analyzed. In such a fluid, viscosity decreases with the deformation rate raised to the n - 1 power where 0 \< n \<= 1 (n = 1 for a Newtonian fluid). When 6/7 \< n \<= 1, film rupture occurs under a balance between van der Waals pressure, inertial stress, and viscous stress. When n \< 6/7, however, the dominant balance changes: Viscous stress becomes negligible and the film ruptures under the competition between van der Waals pressure, inertial stress, and surface tension pressure.

}, issn = {1539-3755}, doi = {10.1103/PhysRevE.92.023014}, author = {Thete, Sumeet Suresh and Anthony, Christopher and Basaran, Osman A. and Doshi, Pankaj} } @article { ISI:000353702500026, title = {Self-templated chemically stable hollow spherical covalent organic framework}, journal = {Nature Communications}, volume = {6}, year = {2015}, month = {APR}, pages = {6786}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Covalent organic frameworks are a family of crystalline porous materials with promising applications. Although active research on the design and synthesis of covalent organic frameworks has been ongoing for almost a decade, the mechanisms of formation of covalent organic frameworks crystallites remain poorly understood. Here we report the synthesis of a hollow spherical covalent organic framework with mesoporous walls in a single-step template-free method. A detailed time-dependent study of hollow sphere formation reveals that an inside-out Ostwald ripening process is responsible for the hollow sphere formation. The synthesized covalent organic framework hollow spheres are highly porous (surface area similar to 1,500m(2) g(-1)), crystalline and chemically stable, due to the presence of strong intramolecular hydrogen bonding. These mesoporous hollow sphere covalent organic frameworks are used for a trypsin immobilization study, which shows an uptake of 15.5 mu mol g(-1) of trypsin.

}, issn = {2041-1723}, doi = {10.1038/ncomms7786}, author = {Kandambeth, Sharath and Venkatesh, V. and Shinde, Digambar B. and Kumari, Sushma and Halder, Arjun and Verma, Sandeep and Banerjee, Rahul} } @article { ISI:000362964900007, title = {Sequence and structure-based comparative analysis to assess, identify and improve the thermostability of penicillin G acylases}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {42}, number = {11}, year = {2015}, month = {NOV}, pages = {1493-1506}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Penicillin acylases are enzymes employed by the pharmaceutical industry for the manufacture of semi-synthetic penicillins. There is a continuous demand for thermostable and alkalophilic enzymes in such applications. We have carried out a computational analysis of known penicillin G acylases (PGAs) in terms of their thermostable nature using various protein-stabilizing factors. While the presence of disulfide bridges was considered initially to screen putative thermostable PGAs from the database, various other factors such as high arginine to lysine ratio, less content of thermolabile amino acids, presence of proline in beta-turns, more number of ion-pair and other non-bonded interactions were also considered for comparison. A modified consensus approach designed could further identify stabilizing residue positions by site-specific comparison between mesostable and thermostable PGAs. A most likely thermostable enzyme identified from the analysis was PGA from Paracoccus denitrificans (PdPGA). This was cloned, expressed and tested for its thermostable nature using biochemical and biophysical experiments. The consensus site-specific sequence-based approach predicted PdPGA to be more thermostable than Escherichia coli PGA, but not as thermostable as the PGA from Achromobacter xylosoxidans. Experimental data showed that PdPGA was comparatively less thermostable than Achromobacter xylosoxidans PGA, although thermostability factors favored a much higher stability. Despite being mesostable, PdPGA being active and stable at alkaline pH is an advantage. Finally, several residue positions could be identified in PdPGA, which upon mutation selectively could improve the thermostability of the enzyme.

}, keywords = {Alkalistable, beta-lactam antibiotics, Consensus approach, Disulfide bridge, Ion pairs, Penicillin acylase, Thermostability}, issn = {1367-5435}, doi = {10.1007/s10295-015-1690-x}, author = {Panigrahi, Priyabrata and Chand, Deepak and Mukherji, Ruchira and Ramasamy, Sureshkumar and Suresh, C. G.} } @article { ISI:000353931300023, title = {Shape-selective oriented cerium oxide nanocrystals permit assessment of the effect of the exposed facets on catalytic activity and oxygen storage capacity}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {16}, year = {2015}, month = {APR}, pages = {8545-8555}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The catalytic performance of a range of nanocrystalline CeO2 samples, prepared to have different morphologies, was measured using two accepted indicators; oxygen storage and diesel soot combustion. The same powders were characterized hi detail by HR-TEM, XRD, XPS, and Raman methods. The study demonstrates that activity is determined by the relative fraction of the active crystallographic planes, not by the specific surface area of the powders. The physical study is a step toward quantitative evaluation of the relative contribution to activity of the different facets. The synthetic protocol permits fabrication of CeO2 nanostructures with preferentially grown active planes, and therefore has potential in developing catalytic applications and in nanocompositing.

}, keywords = {ceria, chemical activities, crystal facets, nanocrystals, texture coefficient}, issn = {1944-8244}, doi = {10.1021/acsami.5b00298}, author = {Sreeremya, Thadathil S. and Krishnan, Asha and Remani, Kottayilpadi C. and Patil, Kashinath R. and Brougham, Dermot F. and Ghosh, Swapankumar} } @article { ISI:000364436300046, title = {Short enantioselective synthesis of ephedrine, amphetamine and their analogues via two stereocentered Co(III)-catalyzed hydrolytic kinetic resolution of racemic syn-benzyloxy epoxide}, journal = {Tetrahedron Letters}, volume = {56}, number = {46}, year = {2015}, month = {NOV}, pages = {6488-6490}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient route for the synthesis of 6 drugs belonging to phenethylamine and amphetamine classes in excellent overall yields and high optical purity has been described. The strategy involves introduction of stereogenic centers by means of two-stereocentered Co(III)-catalyzed hydrolytic kinetic resolution (HKR) of racemic syn-benzyloxy epoxide followed by Pd-catalyzed regioselective cationic hydrogenation of amino alcohols as the key reactions. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Amphetamine, Cationic hydrogenation, Hydrolytic kinetic resolution, Phenethylamine, Stereogenic centers}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.10.010}, author = {Lalwani, Komal G. and Sudalai, Arumugam} } @article { ISI:000350221600066, title = {Silica microspheres containing high density surface hydroxyl groups as efficient epoxidation catalysts}, journal = {RSC Advances}, volume = {5}, number = {27}, year = {2015}, month = {FEB}, pages = {21125-21131}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Uniformly sized silica microspheres were synthesized by a hydrolysis-condensation method. The obtained material was etched with a mild aqueous potassium hydroxide solution for different periods of time to break their Si-O-Si bonds and increases the density of hydroxyl groups on their surfaces. The resulting materials were then used as transition metal-free catalysts for oxidation of olefins in the presence of hydrogen peroxide as a green oxidant. The materials were thoroughly characterized using various physicochemical techniques. These highly populated hydroxyl groups on the surface of silica microspheres were proven to be responsible for excellent conversion (up to 93\%) and epoxide selectivity (up to 100\%) for various olefins. Quantum mechanical calculations also corroborate the experimental findings. Furthermore, both experimental and theoretical studies show that tertiary silanols were present at the active sites of the catalyst surface and were responsible for olefin epoxidation.

}, issn = {2046-2069}, doi = {10.1039/c5ra00374a}, author = {Chandra, Prakash and Doke, Dhananjay S. and Shubhangi B. Umbarkar and Vanka, Kumar and Biradar, Ankush V.} } @article { ISI:000364803200006, title = {Silicon incorporated morpholine antifungals: design, synthesis, and biological evaluation}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1111-1116}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Known morpholine class antifungals (fenpropimorph, fenpropidin, and amorolfine) were synthetically modified through silicon incorporation to have 15 sila-analogues. Twelve sila-analogues exhibited potent antifungal activity against different human fungal pathogens such as Candida albicans, Candida glabrata, Candida tropicalis, Cryptococcus neoformans, and Aspergillus niger. Si la-analogue 24 (fenpropimorph analogue) was the best in our hands, which showed superior fungicidal potential than fenpropidin, fenpropimorph, and amorolfine. The mode of action of sila-analogues was similar to morpholines, i.e., inhibition of sterol reductase and sterol isomerase enzymes of ergosterol synthesis pathway.

}, keywords = {Antifungal drugs, Candida albicans, ergosterol biosynthesis, morpholines, sila-analogues}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00245}, author = {Jachak, Gorakhnath R. and Ramesh, Remya and Sant, Duhita G. and Jorwekar, Shweta U. and Jadhav, Manjusha R. and Tupe, Santosh G. and Deshpande, Mukund V. and Reddy, D. Srinivasa} } @article { ISI:000347373500003, title = {Simple method for the preparation of ultra-small palladium nanoparticles and their utilization for the hydrogenation of terminal alkyne groups to alkanes}, journal = {Nanoscale}, volume = {7}, number = {3}, year = {2015}, month = {NOV}, pages = {872-876}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple and convenient method for the preparation of ultra-small palladium nanoparticles (Pd-NPs) by a modified digestive ripening method is described. These nanoparticles catalyse the hydrogenation of the terminal alkyne groups to alkanes selectively, and show no effect on other labile protecting and internal alkyne or internal/external alkene groups present in the molecule.

}, issn = {2040-3364}, doi = {10.1039/c4nr04239e}, author = {Seth, Jhumur and Kona, Chandrababu Naidu and Das, Shyamsundar and Bhagavatula L. V. Prasad} } @article { ISI:000345054100096, title = {Simple recovery of intracellular gold nanoparticles from peanut seedling roots}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {15}, number = {2}, year = {2015}, month = {FEB}, pages = {1575-1581}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Fabrication of inorganic nanomaterials via a biological route witnesses the formation either extracellularly, intracellulary or both. Whereas extracellular formation of these nanomaterials is cherished owing to their easy and economical extraction and purification processes; the intracellular formation of nanomaterials, due to the lack of a proper recovery protocol has always been dreaded, as the extraction processes used so far were tedious, costly, time consuming and often resulting in very low recovery. The aim of the present study was to overcome the problems related with the extraction and recovery of intracellularly synthesized inorganic nanoparticles, and to devise a method to increasing the output, the shape, size, composition and dispersal of nanoparticles is not altered. Water proved to be much better system as it provided well dispersed, stable gold nanoparticles and higher recovery. This is the first report, where intracellular nanoparticles have been recovered using a very cost-effective and eco-friendly approach.

}, keywords = {gold nanoparticles, Peanut, Recovery, Sonication, Water}, issn = {1533-4880}, doi = {10.1166/jnn.2015.9046}, author = {Raju, D. and Mehta, Urmil J. and Ahmad, Absar} } @article { ISI:000349384300005, title = {Single crystal-to-single crystal site-selective postsynthetic metal exchange in a Zn-MOF based on semi-rigid tricarboxylic acid and access to bimetallic MOFs}, journal = {Chemistry-A European Journal}, volume = {21}, number = {7}, year = {2015}, month = {FEB}, pages = {2759-2765}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The metal ions in a neutral Zn-MOF constructed from tritopic triacid H3L with inherent concave features, rigid core, and peripheral flexibility are found to exist in two distinct SBUs, that is, 0D and 1D. This has allowed site-selective postsynthetic metal exchange (PSME) to be investigated and reactivities of the metal ions in two different environments in coordination polymers to be contrasted for the first time. Site-selective transmetalation of Zn ions in the discrete environment is shown to occur in a single crystal-to-single crystal (SCSC) fashion, with metal ions such as Fe3+, Ru3+, Cu2+, Co2+, etc., whereas those that are part of 1D SBU sustain structural integrity, leading to novel bimetallic MOFs, which are inaccessible by conventional approaches. To the best of our knowledge, site-selective postsynthetic exchange of an intraframework metal ion in a MOF that contains metal ions in discrete as well as polymeric SBUs is heretofore unprecedented.

}, keywords = {coordination polymers, metal-exchange, metal-organic frameworks, Metathesis, X-ray crystallography}, issn = {0947-6539}, doi = {10.1002/chem.201406098}, author = {Bajpai, Alankriti and Chandrasekhar, Pujari and Govardhan, Savitha and Banerjee, Rahul and Moorthy, Jarugu Narasimha} } @article {42923, title = {Single-layer graphene doping through molecular interaction: field-effect transistor and atomic force microscopy investigations}, journal = {Advanced Device Materials}, volume = {1}, year = {2015}, month = {MAR}, pages = {52-58 }, abstract = {

The single-layer graphene has attracted considerable attention for the promising applications in new generation nanoelectronics and optoelectronics devices because of the high deal carrier mobility. Present investigations deal with the effect of chemical/molecular doping with varying the concentration of strong electron acceptor molecule such as tetracyanoethylene (TCNE) on transfer characteristics of single-layer graphene transistor. The Dirac point shift toward the positive gate voltage as a function of increasing concentration of TCNE molecules clearly indicates that the graphene is P-type doped. Our results indicate that the fermi energy level can be controlled by the amount of molecular doping in order to obtain graphene transistors with tunable Dirac points, which can be easily configured into functional nanoelectronic devices.

}, doi = {10.1179/2055031615Y.0000000003}, author = {Late, Dattatray J.} } @article { ISI:000357808500016, title = {Single-layer graphene-assembled 3D porous carbon composites with PVA and Fe3O4 nano-fillers: an interface-mediated superior dielectric and EMI shielding performance}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {28}, year = {2015}, month = {JUN}, pages = {18353-18363}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this study, a novel composite of Fe3O4 nanofiller-decorated single-layer graphene-assembled porous carbon (SLGAPC) with polyvinyl alcohol (PVA) having flexibility and a density of 0.75 g cm(-3) is explored for its dielectric and electromagnetic interference (EMI) response properties. The composite is prepared by the solution casting method and its constituents are optimized as 15 wt\% SLGAPC and 20 wt\% Fe3O4 through a novel solvent relaxation nuclear magnetic resonance experiment. The PVA-SLGAPC-Fe3O4 composite shows high dielectric permittivity in the range of 1 Hz-10 MHz, enhanced by a factor of 4 as compared to that of the PVA-SLGAPC composite, with a reduced loss by a factor of 2. The temperature dependent dielectric properties reveal the activation energy behaviour with reference to the glass transition temperature (80 degrees C) of PVA. The dielectric hysteresis with the temperature cycle reveals a remnant polarization. The enhanced dielectric properties are suggested to be the result of improvement in the localized polarization of the integrated interface system (Maxwell-Wagner-Sillars (MWS) polarization) formed by the uniform adsorption of Fe3O4 on the surface of SLGAPC conjugated with PVA. The EMI shielding property of the composite with a low thickness of 0.3 mm in the X-band (8.2-12.4 GHz) shows a very impressive shielding efficiency of similar to 15 dB and a specific shielding effectiveness of 20 dB (g cm(-3))(-1), indicating the promising character of this material for flexible EMI shielding applications.

}, issn = {1463-9076}, doi = {10.1039/c5cp02476e}, author = {Rao, B. V. Bhaskara and Yadav, Prasad and Aepuru, Radhamanohar and Panda, H. S. and Ogale, Satishchandra and Kale, S. N.} } @article { ISI:000352270700029, title = {Singlet-triplet gaps in polyacenes: a delicate balance between dynamic and static correlations investigated by spin-flip methods}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {15}, year = {2015}, month = {MAR}, pages = {9849-9856}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Over the last few years people have been interested in the process of singlet fission, owing to its relevance to solar cell technology. The energetics of singlet fission is intimately related to singlet-triplet (ST) gaps and energies of singlet excited states. However, accurate calculations of ST gaps in polyacenes are complicated due to near degeneracies in the pi orbitals, and therefore, have been quite challenging. The spin-flip equation-of-motion coupled-cluster (SF-EOM-CC) and its perturbative approximation have been shown to correctly treat situations involving electronic degeneracies and near degeneracies. In this work, we use various spin-flip methods to benchmark the ST gaps of small polyacenes and show that the error in the ST gaps with respect to the experiment is small and does not increase appreciably with the system size. The diradical and polyradical character of the polyacene ground states increase with the system size. However, for the small polyacenes the open-shell character of the ground state is still small enough to be treated using single reference methods.

}, issn = {1463-9076}, doi = {10.1039/c5cp00214a}, author = {Ibeji, Collins U. and Ghosh, Debashree} } @article { ISI:000351061700025, title = {Situ preparation of N-TiO2/graphene nanocomposite and its enhanced photocatalytic hydrogen production by H2S splitting under solar light}, journal = {Nanoscale}, volume = {7}, number = {11}, year = {2015}, month = {FEB}, pages = {5023-5034}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Highly monodispersed nitrogen doped TiO2 nanoparticles were successfully deposited on graphene (N-TiO2/Gr) by a facile in-situ wet chemical method for the first time. N-TiO2/Gr has been further used for photocatalytic hydrogen production using a naturally occurring abundant source of energy i.e. solar light. The N-TiO2/Gr nanocomposite composition was optimized by varying the concentrations of dopant nitrogen and graphene (using various concentrations of graphene) for utmost hydrogen production. The structural, optical and morphological aspects of nanocomposites were studied using XRD, UV-DRS, Raman, XPS, FESEM, and TEM. The structural study of the nanocomposite shows existence of anatase N-TiO2. Further, the details of the components present in the composition were confirmed with Raman and XPS. The morphological study shows that very tiny, 7-10 nm sized, N-TiO2 nanoparticles are deposited on the graphene sheet. The optical study reveals a drastic change in absorption edge and consequent total absorption due to nitrogen doping and presence of graphene. Considering the extended absorption edge to the visible region, these nanocomposites were further used as a photocatalyst to transform hazardous H2S waste into eco-friendly hydrogen using solar light. The N-TiO2/Gr nanocomposite with 2\% graphene exhibits enhanced photocatalytic stable hydrogen production i.e. similar to 5941 mu mol h(-1) under solar light irradiation using just 0.2 gm nanocomposite, which is much higher as compared to P25, undoped TiO2 and TiO2/Gr nanocomposite. The enhancement in the photocatalytic activity is attributed to {\textquoteleft}N{\textquoteright} doping as well as high specific surface area and charge carrier ability of graphene. The recycling of the photocatalyst shows a good stability of the nanocomposites. This work may provide new insights to design other semiconductor deposited graphene novel nanocomposites as a visible light active photocatalyst.

}, issn = {2040-3364}, doi = {10.1039/c4nr06435f}, author = {Bhirud, Ashwini P. and Sathaye, Shivaram D. and Waichal, Rupali P. and Ambekar, Jalindar D. and Park, Chan-J. and Kale, Bharat B.} } @article { ISI:000359459900017, title = {Situ preparation of N-ZnO/graphene nanocomposites: excellent candidate as a photocatalyst for enhanced solar hydrogen generation and high performance supercapacitor electrode}, journal = {Journal of Materials Chemistry A}, volume = {3}, number = {33}, year = {2015}, month = {JUL}, pages = {17050-17063}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We have demonstrated a facile in situ wet chemical method to synthesize nanostructured nitrogen doped ZnO/Graphene (N-ZnO/GR) nanocomposites for the first time. Nitrogen doped ZnO over graphene (N-ZnO/GR) was studied using various concentrations of graphene. During the synthesis of N-ZnO/GR nanocomposites, in situ formation of graphene via GO reduction and formation of 4-9 nm N-ZnO have been demonstrated. The composite N-ZnO/GR absorbs in the visible region and this property is used for the photocatalytic reaction to transform hazardous H2S waste into eco-friendly hydrogen using solar light. The N-ZnO/GR nanocomposite with 0.3\% graphene exhibits an enhanced photocatalytic stable hydrogen production rate i.e. similar to 5072 mu mol h(-1) under visible light irradiation. It is noteworthy that the N-ZnO/GR electrode exhibits a high specific capacitance of 555 F g(-1) and excellent cyclic performance with nearly 96.20\% capacity retention after 2000 cycles at a current density of 10 A g(-1). These results indicate great potential applications of N-ZnO/GR in developing high hydrogen production and supercapacitors with high energy and power densities.

}, issn = {2050-7488}, doi = {10.1039/c5ta03955j}, author = {Bhirud, Ashwini P. and Sathaye, Shivaram and Waichal, Rupali and Park, Chan-Jin and Kale, Bharat} } @article { ISI:000352546100002, title = {Sodium periodate mediated oxidative transformations in organic synthesis}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {15}, year = {2015}, month = {FEB}, pages = {4374-4394}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The investigation of new oxidative transformations for the synthesis of carbon-heteroatom and heteroatom-heteroatom bonds is of fundamental importance in the synthesis of numerous bioactive molecules and fine chemicals. In this context, NaIO4, an exciting reagent, has attracted increasing attention enabling the development of these unprecedented oxidative transformations that are difficult to achieve otherwise. Thus, NaIO4 has been successfully explored as a versatile oxidant for a variety of fundamental organic transformations such as C-H activation, oxidative functionalization of alkenes and other interesting oxidative transformations and its application in the synthesis of bioactive natural products. This review summarizes recent developments in this area with NaIO4 as a versatile oxidant and brings out many challenges that still remain elusive for the future.

}, issn = {1477-0520}, doi = {10.1039/c5ob00238a}, author = {Sudalai, Arumugam and Khenkin, Alexander and Neumann, Ronny} } @article { ISI:000348147100072, title = {Solid state organic amine detection in a photochromic porous metal organic framework}, journal = {Chemical Science}, volume = {6}, number = {2}, year = {2015}, month = {DEC}, pages = {1420-1425}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new Mg(II) based photochromic porous metal-organic framework (MOF) has been synthesized bearing naphthalenediimide (NDI) chromophoric unit. This MOF (Mg-NDI) shows instant and reversible solvatochromic behavior in presence of solvents with different polarity. Mg-NDI also exhibits fast and reversible photochromism via radical formation. Due to the presence of electron deficient NDI moiety, this MOF exhibits selective organic amine (electron rich) sensing in solid state. The organic amine detection has been confirmed by photoluminescence quenching experiment and visual color change.

}, issn = {2041-6520}, doi = {10.1039/c4sc03224a}, author = {Mallick, Arijit and Garai, Bikash and Addicoat, Matthew A. and Petkov, Petko St. and Heine, Thomas and Banerjee, Rahul} } @article {45945, title = {Solvent free one-pot multi-component synthesis of beta-azaarene substituted ketones via a Sn-catalyzed C(sp(3))-H functionalization of 2-alkylazaarenes}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {NOV}, pages = {103091-103094}, type = {Article}, abstract = {

A tin-catalyzed solvent free one-pot multi-component cascade reaction strategy for the direct Michael addition/C(sp(3))-H functionalization of 2-alkylazaarenes with aldehydes and ketones via an aldol reaction has been developed. This is the first report and provides cost effective new access to potent biologically/medicinally important azaarene derivatives with high atom economy.

}, issn = {2046-2069}, doi = {10.1039/c5ra20728b}, author = {Chavan, Santosh S. and Pathan, Mohsinkhan Y. and Mulla, Shafeek A. R.} } @article {45929, title = {Solvent-free carbonylation of glycerol with urea using metal loaded MCM-41 catalysts}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {JAN}, pages = {16452-16460}, type = {Article}, abstract = {

Reacting glycerol with urea is the most attractive option for the production of glycerol carbonate (GC) as it utilizes two inexpensive chemicals readily available in the chemical cycle. The overall result is the chemical fixation of carbon dioxide. A Zn/MCM-41(im) catalyst prepared by a wet impregnation method exhibited excellent activity for the reaction of glycerol and urea with 75\% glycerol conversion and 98\% selectivity to GC. Such excellent activity of the catalyst is explained based on the presence of both basic and acidic sites on the same catalyst which activates the glycerol and urea molecules, respectively.

}, issn = {2046-2069}, doi = {10.1039/c4ra11590b}, author = {Kondawar, S. E. and Potdar, A. S. and Rode, C. V.} } @article { ISI:000346235600051, title = {Solvent-mediated molar conductivity of protic ionic liquids}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {1}, year = {2015}, month = {NOV}, pages = {475-482}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The molar conductivity, A(m), of protic ionic liquids (PILs) in molecular solvents is measured at 298.15 K. The decrease in the A(m) values of PILs is observed with an increase in the concentration of PILs. The limiting molar conductivities, A(m)(0), were obtained for each PIL in different molecular solvents using a least squares method. The A(m)(0) data for PILs were correlated with the structural aspects of PILs and solvent properties. The polar protic solvents show poor ionic association as compared to the polar aprotic solvents, which is discussed on the basis of the hydrogen bond donating (HBD) ability of solvents and PILs. The alkyl chain substitution of anions plays a significant role in the ionic association of the PILs. The diffusion coefficient D-0 and the transport number t were determined, which were consistent with the A(m)(0) values of PILs in water. The A(m)(0) and D-0 values are dependent on the hydrodynamic radius of anions of these ionic liquids. The extent of ionic association for each PIL was discussed using temperature dependent A(m) data for aqueous PIL systems in terms of the Walden plot.

}, issn = {1463-9076}, doi = {10.1039/c4cp04591b}, author = {Thawarkar, Sachin and Khupse, Nageshwar D. and Kumar, Anil} } @article { ISI:000353167500032, title = {Sophorolipid assisted tunable and rapid gelation of silk fibroin to form porous biomedical scaffolds}, journal = {RSC Advances}, volume = {5}, number = {43}, year = {2015}, month = {MAR}, pages = {33955-33962}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Three dimensional polymer hydrogels, based on both natural and synthetic polymers, are increasingly being used as scaffolds and drug delivery vehicles for biomedical applications. Fibrous protein, silk fibroin (SF), obtained from the Bombyx mori silkworm is a promising candidate in this area. However, SF has a long gelation time of about a few weeks that can only be reduced by non-physiological treatments (e. g. high temperature, ultrasonication and low pH) or by addition of a chemical and non-biodegradable polymer and/or surfactant. We report here accelerated gelation of SF under physiological conditions using a biosurfactant, sophorolipid (SL) as a gelling agent. SL and SF are completely miscible and form a very clear solution upon mixing. Hence it is interesting to see that this clear solution gels in a time span of just a few hours. The hydrogels so formed have pore architecture, porosities and mechanical stability ideally suited for tissue culture applications. Here we also demonstrate that mouse fibroblast cells not only adhere to but also extensively proliferate on these SF-SL scaffolds.

}, issn = {2046-2069}, doi = {10.1039/c5ra04317d}, author = {Dubey, Parul and Nawale, Laxman and Sarkar, Dhiman and Nisal, Anuya and Prabhune, Asmita} } @article { ISI:000363068700007, title = {Specific reagent for Cr(III): imaging cellular uptake of Cr(III) in Hct116 cells and theoretical rationalization}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {41}, year = {2015}, month = {OCT}, pages = {13018-13026}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new rhodamine-based reagent (L-1), trapped inside the micellar structure of biologically benign Triton-X 100, could be used for specific recognition of Cr(III) in aqueous buffer medium having physiological pH. This visible light excitable reagent on selective binding to Cr(III) resulted in a strong fluorescence turn-on response with a maximum at similar to 583 nm and tail of that luminescence band extended until 650 nm, an optical response that is desired for avoiding the cellular autofluorescence. Interference studies confirm that other metal ions do not interfere with the detection process of Cr(III) in aqueous buffer medium having pH 7.2. To examine the nature of binding of Cr(III) to L-1, various spectroscopic studies are performed with the model reagent L-1 which tend to support Cr(III)-eta(2)-olefin pi-interactions involving two olefin bonds in molecular probe L-1. Computational studies are also performed with another model reagent L-M to examine the possibility of such Cr(III)-eta(2)-olefin pi-interactions. Presumably, polar functional groups of the model reagent L-M upon coordination to the Cr(III) center effectively reduce the formal charge on the metal ion and this is further substantiated by results of the theoretical studies. This assembly is found to be cell membrane permeable and shows insignificant toxicity toward live colon cancer cells (Hct116). Confocal laser scanning microscopic studies further revealed that the reagent L-1 could be used as an imaging reagent for detection of cellular uptake of Cr(III) in pure aqueous buffer medium by Hct116 cells. Examples of a specific reagent for paramagnetic Cr(III) with luminescence ON response are scanty in the contemporary literature. This ligand design helped us in achieving the turn on response by utilizing the conversion from spirolactam to an acyclic xanthene form on coordination to Cr(III).

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b07565}, author = {Ali, Firoj and Saha, Sukdeb and Maity, Arunava and Taye, Nandaraj and Si, Mrinal Kanti and Suresh, E. and Ganguly, Bishwajit and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000348455100007, title = {Spectral analysis of the emission current noise exhibited by few layer WS2 nanosheets emitter}, journal = {Ultramicroscopy}, volume = {149}, year = {2015}, month = {FEB}, pages = {51-57}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Spectral analysis of the field emission (FE) current fluctuations has been carried out at the base pressure similar to 1 x 10(-8) mbar. The emission current stability investigated at preset value of 2 mu A is characterized by {\textquoteleft}step like fluctuation. The spectral analysis performed on a FFT (Fast Fourier Transform) analyzer revealed that the observed noise is of 1/f(alpha) type, with the value of alpha as similar to 1.05. The estimated value of alpha implies that the current fluctuations are mainly due the various processes occurring on atomic scale like adsorption, migration, and/or desorption of the residual gas species on the emitter surface. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Current fluctuations, field emission, Noise, WS2 nanosheets}, issn = {0304-3991}, doi = {10.1016/j.ultramic.2014.10.004}, author = {Suryawanshi, Sachin R. and Kolhe, Pankaj S. and Rout, Chandra S. and Late, Dattatray J. and More, Mahendra A.} } @article { ISI:000346235600046, title = {Spectroscopic and ab initio investigation of 2,6-difluorophenylacetylene-amine complexes: coexistence of C-H center dot center dot center dot N and lone-pair center dot center dot center dot pi complexes and intermolecular coulombic decay}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {1}, year = {2015}, month = {OCT}, pages = {434-443}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Binary complexes of 2,6-difluorophenylacetylene with methylamine, dimethylamine, trimethylamine and triethylamine were investigated using one colour resonant two photon ionization and infrared-optical double resonance spectroscopic techniques combined with high level ab initio calculations. All four amines form C-Ac-H center dot center dot center dot N hydrogen-bonded complexes. Additionally trimethylamine and triethylamine form complexes characterized by Lp center dot center dot center dot pi interactions, due to the electron deficient nature of the phenyl ring of 2,6-difluorophenylacetylene. The Lp center dot center dot center dot pi interacting structure of the 2,6-difluorophenylacetylenetrimethylamine complex is about 1.5 kJ mol(-1) higher in energy than the C-Ac-H center dot center dot center dot N hydrogen-bonded structure, which is the global minimum. Energy decomposition analysis indicates that the electrostatics and dispersion interactions favour the formation of C-Ac-H center dot center dot center dot N and Lp center dot center dot center dot pi complexes, respectively. Interestingly the C-Ac-H center dot center dot center dot N hydrogen-bonded complex of 2,6-difluorophenylacetylene-triethylamine showed a smaller shift in the acetylenic C-H stretching frequency than the 2,6-difluorophenylacetylene-trimethylamine complex. The observed fragmentation of the binary complexes of 2,6-difluorophenylacetylene with the four amines following resonant two-photon ionization can be explained on the basis of the intermolecular coulombic decay process.

}, issn = {1463-9076}, doi = {10.1039/c4cp03445g}, author = {Mondal, Sohidul Islam and Dey, Arghya and Sen, Saumik and Patwari, G. Naresh and Ghosh, Debashree} } @article { ISI:000363179900069, title = {Spin-coatable, photopatternable magnetic nanocomposite thin films for MEMS device applications}, journal = {RSC Advances}, volume = {5}, number = {104}, year = {2015}, month = {OCT}, pages = {85741-85747}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Magnetic nanomaterials{\textquoteright} (especially metals) air stability and compatibility with standard micro-fabrication technologies are often a concern for development of MEMS-based magnetic devices. In this paper, we report an air-stable, photo-patternable and spin-coatable magnetic thin film preparation process for MEMS applications. This magnetic nanocomposite thin film was prepared by incorporating carbon capped ferromagnetic cobalt nanoparticles of dimension 20-80 nm into the SU-8 matrix. TEM, XRD and EDAX analyses were done, to investigate the crystal structure, dispersion and phase stability of the films. The SQUID magnetometry and MFM measurements of the film confirmed its magnetic response at room temperature and the retention of its magnetic properties over a period of time. The material compatibility for MEMS device applications was demonstrated through fabrication of a suspended circular membrane of radius similar to 250 mu m, having four U-shaped beams, of dimension similar to 270 x 50 mu m each. Three conventional lithography steps and a sacrificial release layer of similar to 1 mm thick oxide was used for the fabrication. The membrane was characterized by evaluating its spring constant and resonant frequency. The spring constant and resonant frequencies were estimated to be similar to 4.2 N m(-1) and similar to 29 kHz respectively. Finally, we demonstrated the actuation of the magnetic membrane by an off-chip generated magnetic field, for its possible use as a MEMS device.

}, issn = {2046-2069}, doi = {10.1039/c5ra15706d}, author = {Kandpal, Manoj and Sharan, C. and Palaparthy, V. and Tiwary, N. and Poddar, P. and Rao, V. Ramgopal} } @article {43027, title = {Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {DEC}, abstract = {

A new series of spirochromone annulated chalcone conjugates were synthesized and evaluated for their antitubercular activity against Mycobacterium tuberculosis H37Rv strain. These compounds were subjected to molecular modeling studies using docking and chemoinformatics based approaches. The docking simulations were performed against a range of known receptors for chalcone derived compounds to reveal MTB phosphotyrosine phosphatase B [MtbPtpB] protein as the most probable target based on the high binding affinity scores. Five compounds exhibit significant inhibition, showing minimum inhibitory concentration values i.e. MIC values ranging from 3.13{\textendash}12.5 μg mL-1. Further analysis of the synthesized compounds with known and in-house developed chemoinformatics tools unequivocally established their potential as anti-tubercular compounds. QSAR modeling revealed a quantitative relationship between biological activities and frontier molecular orbital energies of synthesized compounds. The predictive model can be employed further for virtual screening of new compounds in this series.

}, doi = {10.1039/C5RA21737G}, author = {Mujahid, Mohammad and Perumal, Yogeeswari and Sriram, D. and Basavanag, U. M. V. and D{\i}az-Cervantes, Erik and Cordoba-Bahena, Luis and Robles, Juvencio and Gonnade, Rajesh Ghanshyam and Karthikeyan, Muthukumarasamy and Vyas, Renu and Krishnan, M. Muthu} } @article { ISI:000354067400001, title = {Stable field emission from layered MoS2 nanosheets in high vacuum and observation of 1/f noise}, journal = {Nanomaterials and Nanotechnology}, volume = {5}, year = {2015}, month = {APR}, pages = {10}, publisher = {INTECH EUROPE}, address = {JANEZA TRDINE 9, RIJEKA, 51000, CROATIA}, abstract = {

Field emission and current noise of hydrothermally synthesized MoS2 nanosheets are investigated in ultra-high-vacuum and industrially suited high-vacuum conditions. The study reveals that the emission turn-on field is pressure dependent. Moreover, the MoS2 nanosheets exhibit more stable field-electron emission in high-vacuum than in ultra-high-vacuum conditions. The investigations on field-emission current fluctuations show features of 1/f-type noise in ultra-high-vacuum and high-vacuum conditions, attributed to adsorption and desorption processes. The post-field-emission results indicate the MoS2 nanosheets are a robust field emitter in high-vacuum conditions.

}, keywords = {Electron emission, layered materials, MoS2, Noise measurement, Raman spectroscopy}, issn = {1847-9804}, doi = {10.5772/60071}, author = {Kashid, Ranjit V. and Joag, Pracheetee D. and Thripuranthaka, M. and Rout, Chandra S. and Late, Dattatray J. and More, Mahendra A.} } @article { ISI:000361935600025, title = {Star telechelic poly(L-lactide) ionomers}, journal = {Macromolecules}, volume = {48}, number = {18}, year = {2015}, month = {SEP}, pages = {6580-6588}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Poly(L-lactide) (PLA), a biodegradable and biorenewable polymer, has many excellent properties that are equivalent to those of petroleum-derived plastics such as polystyrene, aromatic polyesters, etc. However, a major disadvantage of PLA which limits its processability is its poor melt elasticity. In this work we explore the possibility of improving the viscoelastic properties of PLA melt by incorporating ionic groups on the polymer. Specifically, we demonstrate the synthesis of star telechelic PLA anionomers by a three-step procedure involving synthesis of Star PIA, converting the hydroxyl end groups into carboxylic acid end groups, and finally converting these into ionic groups. Rheology data showed a dramatic increase in the elasticity of the star telechelic ionomer melts relative to the Star PLA melts. The viscoelasticity of star telechelic ionomers melts could be modulated by varying the number of ionic groups per molecule.

}, issn = {0024-9297}, doi = {10.1021/acs.macromol.5b01854}, author = {Kulkarni, Amruta and Lele, Ashish K. and Sivaram, Swaminathan and Rajamohanan, P. R. and Velankar, Sachin and Chatterji, Apratim} } @article { ISI:000350573400013, title = {Starch (Tapioca) to carbon dots: an efficient green approach to an on-off-on photoluminescence probe for fluoride ion sensing}, journal = {Analyst}, volume = {140}, number = {6}, year = {2015}, month = {FEB}, pages = {1837-1841}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Photoluminescent carbon dots of 4-5 nm size were prepared from starch (Tapioca Sago) through a solution method under mild conditions. The as-prepared carbon dots were used as photoluminescence probes for highly anion selective fluoride ion detection in aqueous solutions. A ready-to-use device is also demonstrated.

}, issn = {0003-2654}, doi = {10.1039/c4an02340d}, author = {Basu, Aniruddha and Suryawanshi, Anil and Kumawat, Begraj and Dandia, Anshu and Guin, Debanjan and Ogale, Satishchandra B.} } @article { ISI:000345901600049, title = {Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum}, journal = {Chemical Science}, volume = {6}, number = {1}, year = {2015}, month = {OCT}, pages = {425-435}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Synthetic access to low-coordinate Pb mono- and dications is in general impeded due to their poor solubility and highly electrophilic nature. However, the electrophilicity of these cations can be tamed by attaching them to electron-rich transition metals. Following this principle we have isolated low-valent Pb mono- ([(Cy3P)(2)Pt-PbCl](2)[AlCl4](2), 8a) and dications ([(Cy3P)(2)Pt(Pb)][AlCl4](2), 11) in the coordination sphere of platinum. The same approach then has been implemented for the isolation of analogous low-valent Sn mono- (7a) and dications (10). An energy decomposition analysis (EDA-NOCV) was performed to investigate the nature of Pt-Pb and Pb-Cl bonding in [(Cy3P)(2)Pt(PbCl2)] (2), 8a and 11. The results show that the Pt-Pb bonds in 8a and 11 are electron-sharing in nature, whereas that of the precursor 2 is a dative bond. The breakdown of attractive interactions in 2, 8a and 11 reveals that the ionic interactions in the analyzed Pt-Pb and Pb-Cl bonds are always stronger than the covalent interactions, except for the Pb-Cl bond in 8a. The calculated D3 dispersion energies show that dispersion interactions play a key role in the thermodynamic stability of 2, 8a and 11.

}, issn = {2041-6520}, doi = {10.1039/c4sc02948h}, author = {Braunschweig, Holger and Celik, Mehmet Ali and Dewhurst, Rian D. and Heid, Magdalena and Hupp, Florian and Sen, Sakya S.} } @article { ISI:000358229500042, title = {Stereocontrolled synthesis of Hagen{\textquoteright}s gland lactones via iterative proline catalyzed alpha-aminoxylation and oxa-Michael addition reactions}, journal = {RSC Advances}, volume = {5}, number = {75}, year = {2015}, month = {JUL}, pages = {61000-61005}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple and efficient synthesis of Hagen{\textquoteright}s gland lactones was achieved using a sequential alpha-aminoxylation/oxa-Michael approach in a highly diastereoselective manner with assignment of relative configurations. This method was found to be applicable to the synthesis of various other isomers of Hagen{\textquoteright}s gland lactones.

}, issn = {2046-2069}, doi = {10.1039/c5ra10082h}, author = {Kauloorkar, Shruti Vandana and Jha, Vishwajeet and Jogdand, Ganesh F. and Kumar, Pradeep} } @article { ISI:000348309800003, title = {Structural features of diverse Pin-II proteinase inhibitor genes from capsicum annuum}, journal = {Planta}, volume = {241}, number = {2}, year = {2015}, month = {FEB}, pages = {319-331}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The proteinase inhibitor (PI) genes from Capsicum annuum were characterized with respect to their UTR, introns and promoter elements. The occurrence of PIs with circularly permuted domain organization was evident. Several potato inhibitor II (Pin-II) type proteinase inhibitor (PI) genes have been analyzed from Capsicum annuum (L.) with respect to their differential expression during plant defense response. However, complete gene characterization of any of these C. annuum PIs (CanPIs) has not been carried out so far. Complete gene architectures of a previously identified CanPI-7 (Beads-on-string, Type A) and a member of newly isolated Bracelet type B, CanPI-69 are reported in this study. The 5{\textquoteright} UTR (untranslated region), 3{\textquoteright}UTR, and intronic sequences of both the CanPI genes were obtained. The genomic sequence of CanPI-7 exhibited, exon 1 (49 base pair, bp) and exon 2 (740 bp) interrupted by a 294-bp long type I intron. We noted the occurrence of three multi-domain PIs (CanPI-69, 70, 71) with circularly permuted domain organization. CanPI-69 was found to possess exon 1 (49 bp), exon 2 (551 bp) and a 584-bp long type I intron. The upstream sequence analysis of CanPI-7 and CanPI-69 predicted various transcription factor-binding sites including TATA and CAAT boxes, hormone-responsive elements (ABRELATERD1, DOFCOREZM, ERELEE4), and a defense-responsive element (WRKY71OS). Binding of transcription factors such as zinc finger motif MADS-box and MYB to the promoter regions was confirmed using electrophoretic mobility shift assay followed by mass spectrometric identification. The 3{\textquoteright} UTR analysis for 25 CanPI genes revealed unique/distinct 3{\textquoteright} UTR sequence for each gene. Structures of three domain CanPIs of type A and B were predicted and further analyzed for their attributes. This investigation of CanPI gene architecture will enable the better understanding of the genetic elements present in CanPIs.

}, keywords = {CanPI, Capsicum, Gene architecture, Promoter, Proteinase inhibitor}, issn = {0032-0935}, doi = {10.1007/s00425-014-2177-0}, author = {Mahajan, Neha S. and Dewangan, Veena and Lomate, Purushottam R. and Joshi, Rakesh S. and Mishra, Manasi and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000360415500050, title = {Structural order of water molecules around hydrophobic solutes: length-scale dependence and solute-solvent coupling}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {34}, year = {2015}, month = {AUG}, pages = {11346-11357}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

It has been suggested that the structure and thermodynamics of the water molecules in the hydration layer of simple hydrophobic solutes undergo an order disorder transition around a nanometer length-scale of the solute size. Using extensive atomistic molecular dynamics (MD) and replica exchange molecular dynamics (REMD) simulation studies, we have probed this order disorder transition around model hydrophobic solutes of varying size and shape (spherical, planar, and linear), as well as flexible hydrophobic homopolymer chains (n-alkanes), where the conformational fluctuations are likely to create both spatial and temporal heterogeneity on the solvent accessible surface. We have explored the structural response of the water molecules in the hydration shell due to the local variations of the length-scale (or curvature) upon hydrophobic collapse and/or local conformational changes of these polymers. We have shown that the tetrahedral order of the water molecules in the hydration shell is practically independent of the polymer size in the extended state of the polymer due to the availability of a subnanometer cross-sectional length-scale, allowing the water molecules to form hydrogen bonds around the polymer chain. Beyond a certain length of the polymer chains, the collapsed states (associated with larger solute length-scale) start to induce disorder in the surface water molecules. We demonstrate that the local structure (both local number density and tetrahedral order) of the hydration layer is dynamically coupled to the local topology of the polymer. Thus, we envisage that in a flexible (bio)polymer, the hydration shell properties will be sensitive to the local conformational state of the molecule (both spatially and temporally), and the overall observed water structure and dynamics will be dependent on the topological/chemical heterogeneity, and the time-scale of fluctuations in the local curvature (length-scale) of the solvent accessible surface. Moreover, we have demonstrated the direct coupling between the local density fluctuations of water and the local hydrophobic collapse of the polymer. For the extended state of the polymer, the local solvent density fluctuation is practically independent of the solute coordinate (length-scale), and the hydrophobic collapse of the polymer is prompted by a {\textquoteleft}{\textquoteleft}local dewetting{\textquoteright}{\textquoteright} process induced by these fluctuations.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b03449}, author = {Hande, Vrushali R. and Chakrabarty, Suman} } @article { ISI:000363727100011, title = {Structure mediation in substrate binding and post-translational processing of penicillin acylases: Information from mutant structures of Kluyvera citrophila penicillin G acylase}, journal = {Protein Science}, volume = {24}, number = {10}, year = {2015}, month = {OCT}, pages = {1660-1670}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Penicillin acylases are industrially important enzymes for the production of 6-APA, which is used extensively in the synthesis of secondary antibiotics. The enzyme translates into an inactive single chain precursor that subsequently gets processed by the removal of a spacer peptide connecting the chains of the mature active heterodimer. We have cloned the penicillin G acylase from Kluyvera citrophila (KcPGA) and prepared two mutants by site-directed mutagenesis. Replacement of N-terminal serine of the beta-subunit with cysteine (Ser beta 1Cys) resulted in a fully processed but inactive enzyme. The second mutant in which this serine is replaced by glycine (Ser beta 1Gly) remained in the unprocessed and inactive form. The crystals of both mutants belonged to space group P1 with four molecules in the asymmetric unit. The three-dimensional structures of these mutants were refined at resolutions 2.8 and 2.5 angstrom, respectively. Comparison of these structures with similar structures of Escherichia coli PGA (EcPGA) revealed various conformational changes that lead to autocatalytic processing and consequent removal of the spacer peptide. The large displacements of residues such as Arg168 and Arg477 toward the N-terminal cleavage site of the spacer peptide or the conformational changes of Arg145 and Phe146 near the active site in these structures suggested probable steps in the processing dynamics. A comparison between the structures of the processed Serb1Cys mutant and that of the processed form of EcPGA showed conformational differences in residues Arg alpha 145, Phe alpha 146, and Phe beta 24 at the substrate binding pocket. Three conformational transitions of Arg alpha 145 and Phe alpha 146 residues were seen when processed and unprocessed forms of KcPGA were compared with the substrate bound structure of EcPGA. Structure mediation in activity difference between KcPGA and EcPGA toward acyl homoserine lactone (AHL) is elucidated.

}, keywords = {acyl homoserine lactone, autocatalytic processing, conformational changes, KcPGA_Ser beta 1Cys, KcPGA_Ser beta 1Gly, Ntn hydrolase}, issn = {0961-8368}, doi = {10.1002/pro.2761}, author = {Chand, Deepak and Varshney, NishantKumar and Ramasamy, Sureshkumar and Panigrahi, Priyabrata and Brannigan, James A. and Wilkinson, Anthony J. and Suresh, C. G.} } @article { ISI:000355893400034, title = {Structure of nanorod assembly in the gyroid phase of diblock copolymer}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {22}, year = {2015}, month = {JUN}, pages = {6803-6812}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Diblock copolymers undergo microphase separation to form various microstructures, for example, lamellar, gyroid, cylindrical, cubic phases depending on compostion and segregation strength (Flory-Huggins parameter chi). Thus, it can act as template to organize doped nanomaterials into different 3D self-assembled structures located within the block copolymer matrix. Gyroid phase is One of the microstructures formed by block copolymer. It has a curved interfacial surface providing confinements throughout the matrix and thus can regulate the shape and sizes of self-assembled nanorods doped in it. Mesoscale simulation of model systems has been performed to explore the structure and dynamics of self-assembly of bundles formed by nanorods of different flexibilities in the gyroid phase of diblock copolymer matrix. Bundles of different shapes and sizes have been found to be formed depending on the nanorod bending flexibility and copolymer-nanorod interactions. The shape anisotropy (kappa(2)) and radius of gyration (R-g(2)) of bundles situated at different interfacial confining locations of block copolymer-matrices have been investigated as a function of nanorod flexibility and nanorod-diblock copolymer miscibility.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b01338}, author = {Chakraborty, Souvik and Roy, Sudip} } @article { ISI:000349999200004, title = {Structure-induced catalytic activity of Co-Zn double-metal cyanide complexes for terpolymerization of propylene oxide, cyclohexene oxide and CO2}, journal = {RSC Advances}, volume = {5}, number = {24}, year = {2015}, month = {FEB}, pages = {18196-18203}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The application of Co-Zn double-metal cyanide (DMC) complexes as catalysts for selective terpolymerization of propylene oxide, cyclohexene oxide and CO2 producing polycarbonates is reported for the first time. DMC complexes were prepared with and without using a co-complexing agent. The catalyst with monoclinic/rhombohedral crystal structure and strong Lewis acidity, prepared without using a co-complexing agent showed higher initial activity than that with a cubic structure prepared using a co-complexing agent. Interestingly, no induction period in the terpolymerization reaction was observed. The terpolymer has 75.5 mol\% of carbonate fraction in its composition and an average molecular weight of 22 700 and polydispersity index of 2.97. It is characterized by a T-g of 55 degrees C. This structure-induced catalytic activity of DMC can open up new avenues for its applications in other reactions. The influence of process parameters on the catalytic activity of DMC was investigated.

}, issn = {2046-2069}, doi = {10.1039/c5ra00299k}, author = {Sebastian, Joby and Darbha, Srinivas} } @article { ISI:000360002300005, title = {Studies on melt processable biocomposites of polylactic acid}, journal = {Journal of Polymers and the Environment}, volume = {23}, number = {3}, year = {2015}, month = {SEP}, pages = {321-333}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Melt processable microcrystalline cellulose (MCC)/poly(lactic acid) (PLA) composites were successfully prepared by twin-screw extrusion. Several characterization techniques were used to investigate the effect of MCC on rheological behavior, morphology, crystallization and melting behavior of the PLA and structure-property correlation of the MCC/PLA composites has been established. Rheological measurements showed that the addition of MCC has a dramatic influence on the low frequency relaxations of PLA chains and above 5 \% of MCC, it forms percolated network structure. Differential scanning calorimeter analysis showed that MCC acted as nucleating agent enhancing crystallization below the percolation concentration. Properties of MCC/PLA composites have been compared with that of talc and CaCO3 filled composites. Talc is found to be more effective in crystallizing PLA than MCC and CaCO3. MCC/PLA composites are found be melt processable like that of talc and CaCO3 filled PLA composites.

}, keywords = {Biopolymers, composites, Rheological properties, Structure-property relationship}, issn = {1566-2543}, doi = {10.1007/s10924-014-0668-5}, author = {Joseph, Seena and Deenadayalan, E. and Mahanwar, Prakash A.} } @article { ISI:000364885800006, title = {Studies toward the total synthesis of cytospolide E}, journal = {Tetrahedron}, volume = {71}, number = {48}, year = {2015}, month = {DEC}, pages = {9088-9094}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In this manuscript, we describe various approaches that we have examined towards the total synthesis of Cytospolide E. We initially attempted the RCM approach employing first and second generation Grubbs and Grubbs-Hoyeda catalysts resulting in the exclusive synthesis of the Z-isomer of Cytospolide E. With the Furstner catalyst, the dimerization involving the less hindered olefin was the exclusive event. Alternative approach documented is a successful cross-metathesis leading to a seco-acid with the requisite E-configuration and undesired macrodiolide formation during the attempted Shiina{\textquoteright}s lactonization. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {20-Membered macrodiolide, Nonenolide, Ring closing metathesis, Shiina lactonization, Yamaguchi esterification}, issn = {0040-4020}, doi = {10.1016/j.tet.2015.10.018}, author = {Vadhadiya, Paresh M. and Rout, Jeetendra K. and Ramana, C. V.} } @article { ISI:000360934800004, title = {Study of applications of machine learning based classification methods for virtual screening of lead molecules}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {7}, year = {2015}, month = {AUG}, pages = {658-672}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

The ligand-based virtual screening of combinatorial libraries employs a number of statistical modeling and machine learning methods. A comprehensive analysis of the application of these methods for the diversity oriented virtual screening of biological targets/drug classes is presented here. A number of classification models have been built using three types of inputs namely structure based descriptors, molecular fingerprints and therapeutic category for performing virtual screening. The activity and affinity descriptors of a set of inhibitors of four target classes DHFR, COX, LOX and NMDA have been utilized to train a total of six classifiers viz. Artificial Neural Network (ANN), k nearest neighbor (k-NN), Support Vector Machine (SVM), Naive Bayes (NB), Decision Tree - (DT) and Random Forest - (RF). Among these classifiers, the ANN was found as the best classifier with an AUC of 0.9 irrespective of the target. New molecular fingerprints based on pharmacophore, toxicophore and chemophore (PTC), were used to build the ANN models for each dataset. A good accuracy of 87.27\% was obtained using 296 chemophoric binary fingerprints for the COX-LOX inhibitors compared to pharmacophoric (67.82 \%) and toxicophoric (70.64 \%). The methodology was validated on the classical Ames mutagenecity dataset of 4337 molecules. To evaluate it further, selectivity and promiscuity of molecules from five drug classes viz. anti-anginal, anti-convulsant, anti-depressant, anti-arrhythmic and anti-diabetic were studied. The TPC fingerprints computed for each category were able to capture the drug-class specific features using the k-NN classifier. These models can be useful for selecting optimal molecules for drug design.

}, keywords = {Anti-anginal, anti-arrythmic, anti-bacterial, anti-convulsant, anti-depressant anti-diabetic, binary QSAR, chemophore, machine learning, pharmacophore, toxicophore}, issn = {1386-2073}, doi = {10.2174/1386207318666150703112447}, author = {Vyas, Renu and Bapat, Sanket and Jain, Esha and Tambe, Sanjeev S. and Karthikeyan, Muthukumarasamy and Kulkarni, Bhaskar D.} } @conference { ISI:000354845400033, title = {Study of molecular vibration by coupled cluster method: bosonic approach}, booktitle = {Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010)}, series = {AIP Conference Proceedings}, volume = {1642}, year = {2015}, note = {International Conference of Computational Methods in Sciences and Engineering (ICCMSE), Kos, GREECE, OCT 03-08, 2010}, month = {FEB}, pages = {227-230}, publisher = {European Soc Computat Methods Sci, Engn \& Technol}, organization = {European Soc Computat Methods Sci, Engn \& Technol}, address = {2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {

The vibrational coupled cluster method in bosonic representation is formulated to describe the molecular anharmonic vibrational spectra. The vibrational coupled cluster formalism is based on Watson Hamiltonian in normal coordinates. The vibrational excited states are described using coupled cluster linear response theory (CCLRT). The quality of the coupled cluster wave function is analyzed. Specifically, the mean displacement values of the normal coordinates and expectation values of the square of the normal coordinates of different vibrational states are calculated. A good agreement between the converged full CI results and coupled cluster results is found for the lower lying vibrational states.

}, keywords = {CCLRT, Expectation values, Watson Hamiltonian}, isbn = {978-0-7354-1282-8}, issn = {0094-243X}, doi = {10.1063/1.4906658}, author = {Banik, Subrata and Pal, Sourav and Prasad, M. Durga}, editor = {Simos, TE and Maroulis, G} } @article { ISI:000365530700017, title = {Study of the nucleation and growth of antibiotic labeled Au NPs and blue luminescent Au-8 quantum clusters for Hg2+ ion sensing, cellular imaging and antibacterial applications}, journal = {Nanoscale}, volume = {7}, number = {47}, year = {2015}, month = {OCT}, pages = {19985-20002}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we report a detailed experimental study supported by DFT calculations to understand the mechanism behind the synthesis of cefradine (CFD - an antibiotic) labeled gold nanoparticles (Au NPs) by employing CFD as both a mild reducing and capping agent. The analysis of the effect of growth conditions reveals that a higher concentration of HAuCl4 results in the formation of an increasing fraction of anisotropic structures, higher temperature leads to the formation of quasi-spherical particles instead of anisotropic ones, and larger pH leads to the formation of much smaller particles. The cyclic voltammetry (CV) results show that when the pH of the reaction medium increases from 4 to 6, the reduction potential of CFD increases which leads to the synthesis of nanoparticles (in a pH 4 reaction) to quantum clusters (in a pH 6 reaction). The MALDI-TOF mass spectrometry results of supernatant of the pH 6 reaction indicate the formation of [Au-8(CFD)(2)S-6] QCs which show fluorescence at ca. 432 nm with a Stokes shift of ca. 95 nm. The blue luminescence from Au-8 QCs was applied for sensing of Hg2+ ions on the basis of an aggregation-induced fluorescence quenching mechanism and offers good selectivity and a high sensitivity with a limit of detection ca. 2 nM which is lower than the detection requirement of 10 nM by the U.S. EPA and 30 nM by WHO for drinking water. We have also applied the sensing probe to detect Hg2+ ions in bacterial samples. Further, we have investigated the antibacterial property of as-synthesized Au NPs using MIC, growth curve and cell survival assay. The results show that Au NPs could reduce the cell survival very efficiently rather than the cell growth in comparison to the antibiotic itself. The scanning electron microscopy study shows the degradation and blebbing of the bacterial cell wall upon exposure with Au NPs which was further supported by fluorescence microscopy results. These Au NPs did not show reactive oxygen species generation. We believe that the bacterial cytotoxicity is due to the direct contact of the Au NPs with bacterial cells.

}, issn = {2040-3364}, doi = {10.1039/c5nr05619e}, author = {Khandelwal, Puneet and Singh, Dheeraj K. and Sadhu, Subha and Poddar, Pankaj} } @article { ISI:000365602800014, title = {Study on fused/cast AZS refractories for deployment in vitrification of radioactive waste effluents}, journal = {Journal of Nuclear Materials}, volume = {467}, number = {1}, year = {2015}, month = {DEC}, pages = {144-154}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Fused/cast Al2O3-ZrO2-SiO2 (FC-AZS){\textquoteright} is being considered as {\textquoteleft}glass contact refractory{\textquoteright} within ceramic melters, to be used for nuclear waste immobilization. Microstructural analyses reveal random distributions of baddeleyite (ZrO2) within aluminosilicate (Al2SiO5) matrix. Al-27 and Si-29 NMR data suggest that within aluminosilicate matrix Al occurs in both 4- and 6-fold co-ordinations whereas Si prefers a 4-fold environment. Polydispersity of pores has been studied with small-angle neutron scattering (SANS) technique. Corrosion rates of FC-AZS within 6 M HNO3, simulated wastes (500 h exposure), and borosilicate melt (975 degrees C, 800 h exposure) are found to be 0.38 x 10(3) mu my(-1), 0.13 x 10(3) mu my(-1) and 4.75 x 10(3) mu my(-1) respectively. A comparison of chemical interaction data clearly suggests that FC-AZS exhibits better chemical durability than AZC refractory (Al2O3-ZrO2-Cr2O3, also used for similar purpose). Thermal cycling studies indicate that FC-AZS retains structural integrity (including compressive strength and density) even up to 20 cycles. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Interaction between refractory material and hazardous liquid, Nuclear waste immobilization, Vitrification melter}, issn = {0022-3115}, doi = {10.1016/j.jnucmat.2015.09.019}, author = {Sengupta, Pranesh and Mishra, Raman K. and Soudamini, N. and Sen, D. and Mazumder, S. and Kaushik, Chetan P. and Ajithkumar, Thalasseril G. and Banerjee, K.} } @article { ISI:000360095900016, title = {Sulfuryl chloride promoted gem-dichlorination-dehydrochlorination in alkyl benzothiazinylacetates: synthesis of the skeleton of trichochrome pigments}, journal = {Synthesis-Stuttgart}, volume = {47}, number = {17}, year = {2015}, month = {SEP}, pages = {2631-2634}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Chemo- and stereoselective total synthesis of the basic trichochrome skeleton is described starting from o-aminothiophenol and maleic anhydride in very good overall yield. The process involves the synthesis of the corresponding 1,4-benzothiazin-2-ylacetates followed by their sulfuryl chloride induced dihalogenation-dehydrohalogenation and a second condensation with o-aminothiophenol as key steps.

}, keywords = {condensations, halogenation, maleic anhydride, o-aminothiophenol, trichochrome framework}, issn = {0039-7881}, doi = {10.1055/s-0034-1378714}, author = {Jangir, Ravi and Gadre, Smita R. and N. P. Argade} } @article {45886, title = {Supported imidazole as heterogeneous catalyst for the synthesis of cyclic carbonates from epoxides and CO2}, journal = {Catalysis Communications}, volume = {59}, year = {2015}, month = {JAN }, pages = {201-205}, type = {Article}, abstract = {

Imidazole anchored onto a silica matrix, by means of a propyl linkage, is found to be an effective heterogeneous catalyst for the synthesis of cyclic carbonates from epoxides and CO2 in near quantitative yield. The versatility of this catalyst is demonstrated by using different substrates (epichlorohydrin, propylene oxide, butylene oxide and styrene oxide) for this cycloaddition reaction. These CO2 insertion reactions were typically carried out in the temperature range of 343 to 403 K at 0.6 MPa CO2 pressure under solvent-free conditions. Several spectroscopic methods were used to characterize the catalyst and study the integrity of the fresh and spent catalysts. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Anchored imidazole, CO2 utilization, cyclic carbonates, epoxides}, issn = {1566-7367}, doi = {10.1016/j.catcom.2014.10.026}, author = {Sankar, Meenakshisundaram and Ajithkumar, Thalasseril G. and Sankar, Gopinathan and Manikandan, Palanichamy} } @article { ISI:000351843500020, title = {Supramolecular scaffolds on glass slides as sugar based rewritable sensors for bacteria}, journal = {Chemical Communications}, volume = {51}, number = {29}, year = {2015}, month = {MAR}, pages = {6346-6349}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We describe here the sugar functionalized beta-cyclodextrin-ferrocene glass slides as fully reversible bacterial biosensors under the influence of external adamantane carboxylic acid. The prototype D-mannose - E. coli ORN 178 and L-fucose - P. aeruginosa interactions serve as a model to illustrate the new approach.

}, issn = {1359-7345}, doi = {10.1039/c5cc01019e}, author = {Gade, Madhuri and Paul, Ajay and Alex, Catherine and Choudhury, Devika and Thulasiram, Hirekodathakallu V. and Kikkeri, Raghavendra} } @article { ISI:000349578400018, title = {Surface site modulations by conjugated organic molecules to enhance visible light activity of ZnO nanostructures in photocatalytic water splitting}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {6}, year = {2015}, month = {FEB}, pages = {3060-3067}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Surface modification of ZnO nanoparticles is identified as a method of modulating surface sites advantageously. ZnO nanoparticles of two different sizes are surface modified with a conjugated organic moiety to enable electron conduction and transfer. Enhanced H-2 evolution from water-methanol mixtures was observed in the composite systems compared to pristine ZnO under visible light irradiation without any cocatalyst. The system is also marginally active in water splitting in pure water without any sacrificial agents. Photophysical characterization indicates that even though reducing size into the nanoregime affects the band gap detrimentally, modifications by simple conjugated organic molecules assist in enhanced visible light activity. The experimental observations are corroborated with computational studies, which also point to a localization of valence band maximum of the interface on the organic moiety and conduction band minimum on ZnO.

}, issn = {1932-7447}, doi = {10.1021/jp511996z}, author = {George, Leena and Sappati, Subrahmanyam and Ghosh, Prasenjit and Devi, R. Nandini} } @article { ISI:000349667700031, title = {Surface-modified single wall carbon nanohorn as an effective electrocatalyst for platinum-free fuel cell cathodes}, journal = {Journal of Materials Chemistry A}, volume = {3}, number = {8}, year = {2015}, month = {JAN}, pages = {4361-4367}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Platinum (Pt) and its alloys are routinely used in the cathodes of polymer electrolyte membrane fuel cells (PEMFCs) due to their high electrocatalytic activity in oxygen reduction reactions (ORRs). A variety of alternative materials have been examined as alternatives to Pt, but most of these had low activity and their performance deteriorated even further in use. In the present study an alternate electrocatalyst has been examined, obtained by a simple surface modification of single-walled carbon nanohorns by simultaneous doping with Fe and N at 900 degrees C (FeNCNH-900). This had an ORR activity superior to that of 40 wt\% Pt on carbon (Pt/C). Compared to Pt/C, FeNCNH-900 gave a 30 mV improvement in onset potential and a 20 mV gain in half-wave potential in an ORR. Its high activity is the result of the simultaneous modulation achieved by the high surface area and the microporosity of carbon nanohorns, together with the establishment of the desired nitrogen-iron coordinated pyrrolic active centres. The catalyst showed excellent electrochemical stability and, most notably, its ORR activity was still increasing after 1000 cycles. Single-cell fuel cell performance using FeNCNH-900 as cathode catalyst showed a maximum power density of 35 mW cm(-2) under alkaline conditions.

}, issn = {2050-7488}, doi = {10.1039/c4ta05092d}, author = {Unni, SreeKuttan M. and Ramadas, Sarath and Illathvalappil, Rajith and Bhange, Siddheshwar N. and Kurungot, Sreekumar} } @article { ISI:000362243500018, title = {Surface-tuned Co3O4 nanoparticles dispersed on nitrogen-doped graphene as an efficient cathode electrocatalyst for mechanical rechargeable zinc-air battery application}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {38}, year = {2015}, month = {SEP}, pages = {21138-21149}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The most vital component of the fuel cells and metal air batteries is the electrocatalyst, which can facilitate the oxygen reduction reaction (ORR) at a significantly reduced overpotential. The present work deals with the development of surface-tuned cobalt oxide (Co3O4) nanoparticles dispersed on nitrogen-doped graphene as a potential ORR electrocatalyst possessing some unique advantages. The thermally reduced nitrogen-doped graphene (NGr) was decorated with three different morphologies of Co3O4 nanoparticles, viz., cubic, blunt edged cubic, and spherical, by using a simple hydrothermal method. We found that the spherical Co3O4 nanoparticle supported NGr catalyst (Co3O4-SP/NGr-24h) has acquired a significant activity makeover to display the ORR activity closely matching with the state-of-the-art Pt supported carbon (PtC) catalyst in alkaline medium. Subsequently, the Co3O4-SP/NGr-24h catalyst has been utilized as the air electrode in a Zn-air battery, which was found to show comparable performance to the system derived from PtC. Co3O4-SP/NGr-24h catalyst has shown several hours of flat discharge profile at the discharge rates of 10, 20, and 50 mA/cm(2) with a specific capacity and energy density of similar to 590 mAh/g(-zn) and,840 Wh/kg(-zn), respectively, in the primary Zn-air battery system. In conjunction, Co3O4-SP/NGr-24h has outperformed as an air electrode in mechanical rechargeable Zn-air battery as well, which has shown consistent flat discharge profile with minimal voltage loss at a discharge rate of 50 mA/cm(2). The present results, thus demonstrate that the proper combination of the tuned morphology of Co3O4 with NGr will be a promising and inexpensive material for efficient and ecofriendly cathodes for Zn-air batteries.

}, keywords = {electrocatalyst, mixed facets, oxygen reduction reaction, rechargeable zinc-air battery, surface morphology}, issn = {1944-8244}, doi = {10.1021/acsami.5b04865}, author = {Singh, Santosh K. and Dhavale, Vishal M. and Kurungot, Sreekumar} } @article { ISI:000356021300023, title = {Surfactant assisted formation of ruthenium nanochains under mild conditions and their catalytic CO oxidation activity}, journal = {Chemical Communications}, volume = {51}, number = {50}, year = {2015}, month = {MAY}, pages = {10178-10181}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Spontaneous formation of ruthenium nanochains is accomplished in aqueous medium under mild conditions using a seed mediated protocol with cetyl trimethylammonium bromide (CTAB) as the capping agent. They are formed due to the random self-assembly of Ru seeds of similar to 3.5 nm size. These 1D nanostructures exhibit better catalytic activity towards the oxidation of CO relative to the similar to 3.5 nmseeds and 6 nm Ru nanospheres. The synthesis strategy adopted here is found to be simple, facile and environmentally friendly.

}, issn = {1359-7345}, doi = {10.1039/c4cc09430a}, author = {Sreedhala, S. and Vinod, C. P.} } @article {43034, title = {Swarm and swim motilities of salmonella enterica serovar typhimurium and role of osmoregulated periplasmic glucans}, journal = {Microbiol Discov}, volume = {3}, year = {2015}, month = {JAN}, pages = {3-6}, doi = {10.7243/2052-6180-3-3}, author = {Dharne, Mahesh S. and Kannan, Porteen and Murphy, Charles and Smith, Allen and Bhagwat, Arvind A.} } @article { ISI:000354910500021, title = {Switching closed-shell to open-shell phenalenyl: toward designing electroactive materials}, journal = {Journal of the American Chemical Society}, volume = {137}, number = {18}, year = {2015}, month = {MAY}, pages = {5955-5960}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Open-shell phenalenyl chemistry started more than half a century back, and the first solid-state phenalenyl radical was realized only 15 years ago highlighting the synthetic challenges associated in stabilizing carbon-based radical chemistry, though it has great promise as building blocks for molecular electronics and multifunctional materials. Alternatively; stable closed-shell phenalenyl has tremendous potential as it can be utilized, to create an in situ open-shell state by external spin injection. In the present study, we have designed a closed-shell phenalenyl-based iron(III) complex, Fe-III(PLY)(3) (PLY-H = 9-hydroxyphenalenone) displaying an excellent electrocatalytic property as cathode material for one compartment membraneless H2O2 fuel cell. The power density output Of Fe-III(PLY)(3) is nearly 15-fold higher than the structurally related model compound Fe-III(acac)(3) (acac = acetylacetonate) and nearly 140-fold higher than an earlier reported mononuclear Fe(III) complex; Fe-III(Pc)Cl (Pc = pthalocyaninate), highlighting the role of switchable closed-shell phenalenyl moiety for electron-transfer process in designing electroactive materials.

}, issn = {0002-7863}, doi = {10.1021/jacs.5b00272}, author = {Pariyar, Anand and Vijaykumar, Gonela and Bhunia, Mrinal and Dey, Suman Kr. and Singh, Santosh K. and Kurungot, Sreekumar and Mandal, Swadhin K.} } @article { ISI:000351833100018, title = {Synergistic effects and correlating polarity parameters in binary mixtures of ionic liquids}, journal = {Chemphyschem}, volume = {16}, number = {5}, year = {2015}, month = {APR}, pages = {1026-1034}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Understanding how a chemical reaction proceeds in solution requires precise knowledge of solute-solvent interactions. Certain issues involved in ionic liquid binary mixtures are still not clearly understood, including: 1) the effects of hydrogen-bond-acceptor basicity () of solvents on the synergistic effects found in ionic liquid-alcohol mixtures, 2) the interrelation between the polarity parameters in binary mixtures, and 3) the application of a model for the description of normalised electronic transition energy for all the binary mixtures. Here, a detailed analysis of polarity parameters in both hydrophilic and hydrophobic ionic liquids has been carried out. A three-parameter model developed by Roses et al. [J. Chem. Soc. Perkin Trans. 2 1997, 13411348] was found to be applicable to all the binary mixtures, and synergistic effects are generated as a result of high values of alcohols compared with those of the ionic liquids. A strong correlation was observed in the values and hydrophobicities of pure ionic liquids, suggesting that values can play a role in describing synergism.

}, keywords = {green chemistry, ionic liquids, liquids, noncovalent interactions, solvent effects}, issn = {1439-4235}, doi = {10.1002/cphc.201402825}, author = {Beniwal, Vijay and Kumar, Anil} } @article { ISI:000358338300003, title = {Synthesis and antifungal potential of 1,2,3-triazole and 1,2,4-triazole thiol substituted strobilurin derivatives}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {54}, number = {7}, year = {2015}, month = {JUL}, pages = {908-917}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

beta-Methoxyacrylate group is an important pharmacophore of commercially used strobilurin fungicides. In the present study, a total of seventeen 1,2,4-triazole thiols 8a-h and 1,2,3-triazole substituted 10a-i strobilurin derivatives have been synthesized. 1,2,4-Triazole thiol substituted strobilurin derivatives 8a-h have been found to inhibit the growth of plant pathogens such as Fusarium oxysporum, Magnaporthe grisea, Drechslera oryzae and human pathogens Aspergillus fumigatus and different strains of Cryptococcus neoformans, with MIC in the range of 16-256 mu g/mL. In case of Candida albicans tested strain, the MIC is \> 256 mu g/mL. p-Chlorophenyl substituted 1,2,4-triazole thiol strobiulrin derivative 8e is the most potent inhibitor with MIC of 16-64 mu g/mL against most of the tested pathogens. Antifungal action of the compounds is due to inhibition of mitochondrial respiration. In the resazurin reduction assay, EC50 for inhibition of RZ reduction in D. oryzae by azoxystrobin and 8e are 3.42 +/- 0.03 mu g/mL and 3.63 +/- 0.21 mu g/mL, respectively; while in case of C. neoformans, EC50,, of azoxystrobin and 8e are between 0.65-0.85 mu g/mL. In a non-pathogenic model Benjaminiella poitrasii, though the MIC for all the synthesized compounds 8a-h and 10a-i are \> 256 mu g/ml, yeast to hypha transition is inhibited in the range of 21-75\% at 4 mu g/mL concentration while EC50 for inhibition of RZ reduction by azoxystrobin and 8e are 31.5 +/- 0.4 mu g/mL and 17.95 +/- 0.7 mu g/mL, respectively. The 50\% germ tube formation inhibition in case of C. albicans is observed at 108.49 mu g/mL. 1,2,4-Triazole thiol substituted strobilurin derivatives hold promise for the control of pathogenic fungi in agriculture and health care.

}, keywords = {1, 2, 3-triazole strobilurin, 4-triazole thiol strobilurin, antifungal, Strobilurin, Y-H transition inhibition}, issn = {0376-4699}, author = {Chaudhary, Preeti M. and Tupe, Santosh G. and Jorwekar, Shweta U. and Sant, Duhita G. and Deshpande, Sunita R. and Maybhate, Shailaja P. and Likhite, Anjali P. and Deshpande, Mukund V.} } @article { ISI:000346263800042, title = {Synthesis and characterization of PEPO grafted carboxymethyl guar and carboxymethyl tamarind as new thermo-associating polymers}, journal = {Carbohydrate Polymers}, volume = {117}, year = {2015}, month = {MAR}, pages = {331-338}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

New thermo associating polymers were designed and synthesized by grafting amino terminated poly(ethylene oxide-co-propylene oxide) (PEPO) onto carboxymethyl guar (CMG) and carboxymethyl tamarind (CMT). The grafting was performed by coupling reaction between-NH2 groups of PEPO and -COOH groups of CMG and CMT using water-soluble EDC/NHS as coupling agents. The grafting efficiency and the temperature of thermo-association, T-assoc in the copolymer were studied by NMR spectroscopy. The graft copolymers, CMG-g-PEPO and CMT-g-PEPO exhibited interesting thermo-associating behavior which was evidenced by the detailed rheological and fluorescence measurements. The visco-elastic properties (storage modulus, G{\textquoteright}; loss modulus, G{\textquoteright}{\textquoteright}) of the copolymer solutions were investigated using oscillatory shear experiments. The influence of salt and surfactant on the T-assoc was also studied by rheology, where the phenomenon of {\textquoteleft}{\textquoteleft}Salting out{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}Salting in{\textquoteright}{\textquoteright} was observed for salt and surfactant, respectively, which can give an easy access to tunable properties of these copolymers. These thermo-associating polymers with biodegradable nature of CMG and CMT can have potential applications as smart injectables in controlled release technology and as thickeners in cosmetics and pharmaceutical formulations. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Carboxymethyl guar, Carboxymethyl tamarind, Pluronics, Rheology, Solution behavior, Thermo-associating polymers}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.09.073}, author = {Gupta, Nivika R. and Torris, Arun A. T. and Wadgaonkar, Prakash P. and Rajamohanan, P. R. and Ducouret, Guylaine and Hourdet, Dominique and Creton, Costantino and Badiger, Manohar V.} } @article { ISI:000363466600014, title = {Synthesis and characterization of polyetherimides containing multiple ether linkages and pendent pentadecyl chains}, journal = {Polymer International}, volume = {64}, number = {12}, year = {2015}, month = {DEC}, pages = {1770-1778}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

4-(4-(4-(4-Aminophenoxy)-2-pentadecylphenoxy)phenoxy)aniline (APPPA) was synthesized starting from cashew nut shell liquid-derived bisphenol, i.e. 4-(4-hydroxyphenoxy)-3-pentadecylphenol, by nucleophilic substitution reaction with 4-chloronitrobenzene followed by reduction of the formed 4-(4-nitrophenoxy)-1-(4-(4-nitrophenoxy)phenoxy)-2-pentadecylbenzene. Three new polyetherimides containing multiple ether linkages and pendent pentadecyl chains were synthesized by one-step high-temperature solution polycondensation of APPPA in m-cresol with three aromatic dianhydrides, i.e. 3,3,4,4-oxydiphthalic anhydride, 4,4-(hexafluoroisopropylidene)diphthalic anhydride and 3,3,4,4-biphenyltetracarboxylic dianhydride. Inherent viscosities and number-average molecular weights of the polyetherimides were in the ranges 0.66-0.70 dLg(-1) and 17100-29700gmol(-1) (gel permeation chromatography, polystyrene standards), respectively, indicating the formation of reasonably high molecular weight polymers. The polyetherimides were soluble in organic solvents such as chloroform, dichloromethane, tetrahydrofuran, pyridine, m-cresol, N,N-dimethylformamide, N,N-dimethylacetamide, N-methylpyrrolidone and dimethylsulfoxide, and could be cast into transparent, flexible and tough films from their solutions in chloroform. The polyetherimides exhibited glass transition temperatures (T-g) in the range 113-131 degrees C. The lowering of T-g could be attributed to the combined influence of flexibilizing ether linkages and pentadecyl chains which act as packing-disruptive{\textquoteright} groups. The temperature at 10\% weight loss (T-10), determined from thermogravimetric analysis in nitrogen atmosphere, was in the range 460-470 degrees C demonstrating good thermal stability. The virtues of solubility and large gap between T-g and T-10 mean that the polyetherimides containing pendent pentadecyl chains have possibilities for both solution as well as melt processability. (c) 2015 Society of Chemical Industry

}, keywords = {CNSL, ether linkage, pentadecyl, polyetherimide, processability}, issn = {0959-8103}, doi = {10.1002/pi.4978}, author = {Tawade, Bhausaheb V. and Kulkarni, Arun D. and Wadgaonkar, Prakash P.} } @article { ISI:000363841700011, title = {Synthesis and characterization of thermotropic liquid crystalline polyimides}, journal = {Bulletin of Materials Science}, volume = {38}, number = {6}, year = {2015}, month = {OCT}, pages = {1553-1559}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Non-symmetrical and linear dyad-based mesogens were synthesised containing imine or ester bridging group. In the present work, due to the absence of branching in diamine-based mesogen, the structure has-rigidity inversely imine/ester bridging groups between two benzene rings imparts-flexible property to the mesogen and consequently rigid-flexible property has been balanced. The synthesised mesogens were characterized by different techniques including nuclear magnetic resonance and Fourier transform infrared spectroscopy. Liquid crystalline polymers (LCPs) were synthesised using pyromellitic dianhydride and 4-[(4-aminobenzylidene)amino]aniline or 4-aminophenyl-4-aminobenzoate. Subsequently, thermotropic liquid crystalline polymers (TLCPs) have also been evaluated to obtain optical microscopy textures at different temperatures which demonstrated interesting and notable changes. It is worth noting that marble-like textures were observed upto 200A degrees C.

}, keywords = {Diamine, liquid crystalline polymer, mesogen, optical microscopy textures, pyromellitic dianhydride}, issn = {0250-4707}, doi = {10.1007/s12034-015-0975-z}, author = {Mane, Sachin and Rajan, C. R. and Ponrathnam, Surendra and Chavan, Nayaku} } @article {45939, title = {Synthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents}, journal = {MedChemComm}, volume = {6}, year = {2015}, month = {AUG}, pages = {2209-2215}, type = {Article}, abstract = {

A number of thieno[2,3-d]pyrimidin-4(3H)-ones were designed, synthesized and screened against Mycobacteria as a part of our program to develop new antitubercular agents. It was observed that some of the compounds have significant antimycobacterial activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743). The active compounds were studied for cytotoxicity against four cell lines and were found to be non-cytotoxic. The results showed that compounds 13b and 29e were found to exhibit very good antimycobacterial activity (MIC in the range of 6-8 mu M) and the thienopyrimidinones as a class have potential to be developed as antitubercular agents.

}, issn = {2040-2503}, doi = {10.1039/c5md00404g}, author = {Borate, Hanumant B. and Annadate, Ritesh A. and Vagh, Sandip S. and Pisal, Mahesh M. and Deokate, Sagar B. and Arkile, Manisha A. and Jadhav, Nandadeep J. and Nawale, Laxman U. and Sarkar, Dhiman} } @article { ISI:000365710500009, title = {Synthesis, antioxidant, anti-inflammatory, and antimicrobial screening of newer thiophene-fused arylpyrazolyl 1,3,4-oxadiazoles}, journal = {Phosphorus Sulfur and Silicon and the Related Elements}, volume = {190}, number = {11}, year = {2015}, month = {NOV}, pages = {1803-1813}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

A series of newer 1,3,4-oxadiazole derivatives 3a-h, 5a-h containing a thiophene fused with pyrazole moiety of pharmacological significance have been synthesized. The compounds were characterized by H-1 NMR, IR, and mass spectral techniques. The compounds were screened for their in vitro antioxidant, anti-inflammatory and antimicrobial activities. Among them, Compounds 3b (EC50-14.98) and 3f (EC50-12.21) showed significant antioxidant activity. Compound 3a (EC50-15.23) showed good anti-inflammatory activity. Compound 3d was found as the most active derivative against bacterial and fungal strains.

}, keywords = {1, 3, 4-Oxadiazole, Anti-inflammatory, Antimicrobial, Antioxidant, EC50, Thiophene-fused pyrazole}, issn = {1042-6507}, doi = {10.1080/10426507.2015.1024784}, author = {Mahajan, Pravin S. and Nikam, Mukesh and Chate, Asha and Nimbalkar, Urja and Patil, Vrushali and Bobade, Anil and Chaudhari, Abhay and Deolankar, Dattatray and Javale, Balasaheb and Gill, Charansingh H.} } @article {45927, title = {Synthesis, characterization of thiolated karaya gum and evaluation of effect of pH on its mucoadhesive and sustained release properties}, journal = {Carbohydrate Polymers}, volume = {130}, year = {2015}, month = {OCT }, pages = {183-190}, type = {Article}, abstract = {

Present study aims at synthesis and characterization of thiolated gum karaya by reacting karaya gum with 80\% thioglycolic acid resulting in esterification and immobilization of thiol groups on polymeric backbone. Immobilized thiol groups were found to be 5.026 mM/g determined by Ellman{\textquoteright}s method. It was characterized by FTIR, DSC and XRD. Directly compressible tablets prepared using thiolated gum displayed more disintegration time, swelling and mucoadhesion with increase in pH of medium simulating gastric and intestinal environment than plain gum. Controlled drug release for more than 24h by Fickian diffusion following Korsemeyer-Peppas model was observed with Metoprolol Succinate as a model drug as compared to plain gum which released more than 90\% of the drug within 2 h. Synthesized thiomer showed no cytotoxicity determined using HepG2 cell line. According to these results, thiolated gum karaya seems to be promising excipient for the development of mucoadhesive drug delivery systems. (C) 2015 Elsevier Ltd. All rights reserved.

}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2015.04.064}, author = {Bahulkar, Swati S. and Munot, Neha M. and Surwase, Sachin S.} } @article { ISI:000367546300012, title = {Synthesis, crystal structure and in vitro DNA binding studies of combretastatin A-4 analogue}, journal = {Croatica Chemica Acta}, volume = {88}, number = {3}, year = {2015}, month = {DEC}, pages = {289-296}, publisher = {CROATIAN CHEMICAL SOC}, address = {MARULICEV TRG 19/II, 41001 ZAGREB, CROATIA}, abstract = {

Synthesis of a novel Combretastatin A-4 analogue using Schiff{\textquoteright}s reaction of benzil and 4-aminoantipyrine has been achieved under solvent free conditions. The structure of compound was examined spectroscopically and confirmed from single crystal diffraction studies. The synthesized Combretastatin A-4 analogue was investigated for its DNA binding ability as the plausible mechanism for its antitumor activity. The binding propensity of the synthesized compound with calf-thymus (CT) DNA was monitored with absorption and emission spectrophotometric titrations. The calculations predict a binding constant of 7.24 x 10(4) for the complex of the synthesized compound with CT DNA which is comparable in magnitude to that of DNA binding of bactericidal drug enoxacin and typical intercalation indicator ethidium bromide (EB). Competitive binding studies of the synthesized compound with EB using fluorescence titration reveal that it displaces the DNA-bound EB and binds in intercalative mode which was further supported by circular dichroism (CD) spectroscopy. The probable site and binding energy of the compound with DNA was further theoretically investigated by molecular docking studies. The significant DNA binding ability of the synthesized Combretastatin A4 analogue as revealed from this study could be related to the anticancer activity of the Combretastatin A4.

}, keywords = {benzil, bio-physical, combretastatin A-4, crystal structure, DNA binding, ethidium bromide, fluorescence, phenazones}, issn = {0011-1643}, doi = {10.5562/cca2662}, author = {Rizvi, Masood Ahmad and Dangat, Yuvraj B. and Yaseen, Zahid and Gupta, Vivek and Khan, Khaliquz Zaman} } @article { ISI:000355856200084, title = {Synthesis, DNA interaction and anticancer activity of 2-anthryl substituted benzimidazole derivatives}, journal = {New Journal of Chemistry}, volume = {39}, number = {6}, year = {2015}, month = {APR}, pages = {4882-4890}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

2-Anthryl benzimidazole derivatives (5-7) with hydrogen, carboxyl and benzoyl substituents at the 5th position have been synthesized using a silica supported periodic acid catalyst. The DNA cleavage activity of 5-7 was studied in the presence of light using pBR322 plasmid DNA and was shown to vary with substitution at the 5th position of benzimidazole derivatives. DNA binding studies using ethidium bromide displacement assay demonstrated the non-intercalative binding mode of 5-7. The anticancer activity of these target molecules was tested against MCF-7 and HL-60 cell lines, and they exhibited remarkable activity in the micromolar range. Cellular uptake and morphological changes were confirmed by fluorescence and confocal microscopy. A molecular docking study was carried out to explore the DNA binding mechanism of 5-7.

}, issn = {1144-0546}, doi = {10.1039/c4nj02415j}, author = {Sontakke, Vyankat A. and Kate, Anup N. and Ghosh, Sougata and More, Piyush and Gonnade, Rajesh G. and Kumbhar, Navanath M. and Kumbhar, Anupa A. and Chopade, Balu Ananda and Shinde, Vaishali S.} } @article { ISI:000351584500007, title = {Synthesis of 3-ethyl-4-metyl-1h,5-dihydro-2h-pyrrol-2-one by novel palladium(ii)-catalyzed cyclization and ring-closing metathesis}, journal = {Synthesis-Stuttgart}, volume = {47}, number = {7}, year = {2015}, month = {APR}, pages = {955-960}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Synthesis of 3-ethyl-4-methyl-1,5-dihydro-2H-pyrrol-2-one is described starting from commercially available allylamine and 4-methoxybenzylamine employing palladium-catalyzed cyclization or ring-closing metathesis as the key steps.

}, keywords = {antidiabetic, cyclization, glimepiride, lactams, metabolite, pyrrolinone, Ring-closing metathesis}, issn = {0039-7881}, doi = {10.1055/s-0034-1379985}, author = {Chavan, Subhash P. and Pathak, Ashok B. and Pawar, Kailash P.} } @article { ISI:000366209800015, title = {Synthesis of 3-Thia-1-dethiacephems via Regioselective Iodocyclization Reaction}, journal = {Synthesis-Stuttgart}, volume = {47}, number = {24}, year = {2015}, month = {DEC}, pages = {3956-3962}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The key N-homopropargylthiourea intermediates, N-substituted 2-oxo-4-propargylazetidine-1-carbothioamides, were prepared by the reaction of a 4-propargylazetidin-2-one with isothiocyanates. Bicyclic -lactams, i.e. 3-thia-1-dethiacephems, were prepared via highly regioselective iodocyclization reaction of N-substituted 2-oxo-4-propargylazetidine-1-carbothioamides with molecular iodine at room temperature in moderate to excellent yields. A variety of functional groups were well tolerated under the reaction conditions.

}, keywords = {-lactams, 3-thia-1-dethiacephems, Iodocyclization, Regioselective, thiourea}, issn = {0039-7881}, doi = {10.1055/s-0035-1560350}, author = {Garud, Dinesh R. and Rode, Navnath D. and Bathe, Sagar R. and Ranpise, Vinod S. and Joshi, Ramesh A. and Joshi, Rohini R. and Koketsu, Mamoru} } @article { ISI:000360597400020, title = {Synthesis of (+/-) debenzoyl analogs of norsampsones as potential anticancer agents}, journal = {Tetrahedron Letters}, volume = {56}, number = {37}, year = {2015}, month = {SEP}, pages = {5235-5237}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Synthesis of (+/-) debenzoyl analogs of norsampsones 1 and 2 is reported starting from commercially available 1,3-cyclohexadione in six steps with overall yields of 37\% and 36\%, respectively. Compounds 1 and 2 were tested for their anticancer activity and showed moderate anticancer activity against HeLa cell lines. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Acylphloroglucinols, Anticancer, Debenzoyl, Norsampsones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.07.057}, author = {Jadhav, Amol R. and Thombal, Raju S. and Nigam, Preeti and Jadhav, Vrushali H.} } @proceedings {42929, title = {Synthesis of GdB6 nanostructures using nanosecond (Nd: YAG) laser: field emission investigation}, year = {2015}, month = {JUL}, pages = {122-123}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {Guangzhou, Peoples R China}, abstract = {

We herein report field emission characteristics of GdB6 nanostructures grown directly on a pellet via laser processing (laser fluence similar to 6 J/cm(2)). The laser processed GdB6 pellet was characterized by X-ray diffraction, which revealed no change in phase upon laser processing. The values of the turn-on field required to draw emission current density of 1 mu A/cm(2) is found to be similar to 2.95 V/mu m, for the laser processed GdB6 emitter. Furthermore, the Fowler-Nordheim (F-N) plot exhibits non-linear behavior over the entire range of applied field and the field enhancement factor (beta) calculated from slope of the F-N plot (low field region) was found to be similar to 543. The emission current stability over a period of 3h was observed to be fairly good. The observed results demonstrate that laser processing can be efficiently used to make GdB6 nanostructure emitter having potential for practical applications.

}, author = {Suryawanshi, S. R. and Late, Dattatray J. and More, Mahendra A. and Singh, Anil K. and Sinha, S.} } @article {43035, title = {Synthesis of N, F and S co-doped graphene quantum dots}, journal = {Nanoscale}, volume = {7}, year = {2015}, month = {MAY}, pages = {11515-11519}, abstract = {

Graphene quantum dots (GQDs) are a promising category of materials with remarkable size dependent properties like tunable bandgap and photoluminescence along with the possibility of effective chemical functionalization. Doping of GQDs with heteroatoms is an interesting way of regulating their properties. Herein, we report a facile and scalable one-step synthesis of luminescent GQDs, substitutionally co-doped with N, F and S, of similar to 2 nm average size by a microwave treatment of multi-walled carbon nanotubes in a customized ionic liquid medium. The use of an ionic liquid coupled with the use of a microwave technique enables not only an ultrafast process for the synthesis of co-doped GQDs, but also provides excellent photoluminescence quantum yield (70\%), perhaps due to the interaction of defect clusters and dopants.

}, author = {Kundu, Sumana and Yadav, Ram Manohar and Narayanan, T. N. and Shelke, Manjusha V. and Vajtai, Robert and Ajayan, Pulickel M. and Pillai, Vijayamohanan K.} } @article { ISI:000364435000072, title = {Synthesis of N-aryl beta-amino alcohols by trifluoroacetic acid promoted multicomponent coupling of aziridines, arynes, and water}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {21}, year = {2015}, month = {NOV}, pages = {11131-11137}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A transition-metal-free, three-component coupling involving N-substituted aziridines, arynes, and water promoted by trifluoroacetic acid (TFA) has been reported. The reaction furnished medicinally important N-aryl beta-amino alcohol derivatives in moderate to good yields. In addition, the use of azetidines in this reaction afforded N-aryl gamma-amino alcohol derivatives.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b01798}, author = {Roy, Tony and Baviskar, Dnyaneshwar R. and Biju, Akkattu T.} } @article { ISI:000355036400034, title = {Synthesis of naturally occurring (+)-osmundalactone and 4-epi-(+)-osmundalactone from triacetyl-O-D-glucal}, journal = {Tetrahedron Letters}, volume = {56}, number = {21}, year = {2015}, month = {MAY}, pages = {2783-2786}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient total synthesis of (+)-osmundalactone 1 has been achieved starting from readily available triacetyl-O-D-glucal 6 employing Ferrier rearrangement and Jones oxidation as key steps. Also, synthesis of 4-epi-(+)-osmundalactone 2 was accomplished from the common key intermediate 9. The absolute stereochemistry of (+)-osmundalactone 1 and a precursor of 4-epi-(+)-osmundalactone 2 have been established by single crystal X-ray analysis. The overall yield of compound 1 and 2 from triacetyl-O-D-glucal 6 is 13\% and 8\%, respectively. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Bioactive molecules, carbohydrates, D-glucal, Ferrier rearrangement, Pyrones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.04.038}, author = {Kotammagari, Tharun K. and Gonnade, Rajesh G. and Bhattacharya, Asish K.} } @article {45942, title = {Synthesis of non-toxic triethyl citrate plasticizer by esterification of renewable citric acid using modified zeolite}, journal = {Clean-Soil Air Water}, volume = {43}, year = {2015}, month = {JUN}, pages = {927-931}, type = {Article}, abstract = {

Triethyl citrate (TEC), a non-toxic plasticizer, was synthesized by esterification of renewable citric acid (CA, from entire waste of oranges) with ethanol over modified H-ZSM-5 (HZ-5) zeolite. Different micro-meso composites (M-HZ-5) with varying crystallinities were prepared by alkaline treatment of HZ-5. M-HZ-5(0.6) (87\% crystallinity) was observed to be a potential and environmentally benign catalyst with 96\% CA conversion, 64\% TEC selectivity (61.44\% TEC yield), and a reusability of six cycles. The probable catalytic mechanism of esterification was also proposed.

}, keywords = {Biowaste, Catalysts, green chemistry, Micro-mesopre composites, reusability}, issn = {1863-0650}, doi = {10.1002/clen.201400189}, author = {Nandiwale, Kakasaheb Y. and Borikar, Sanjay P. and Bokade, Vijay V.} } @article { ISI:000356927800001, title = {Synthesis of novel N-cyclopentenyl-lactams using the aube reaction}, journal = {Beilstein Journal of Organic Chemistry}, volume = {11}, year = {2015}, month = {JUN}, pages = {1060-1067}, publisher = {BEILSTEIN-INSTITUT}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {

A novel and convenient method utilizing the Aube reaction to access a new class of compounds that are similar to carbocyclic nucleosides is reported. The azido alcohol derived from Vince lactam undergoes the Aube reaction with various cyclic ketones to give cyclopentenyl-substituted lactams. Upon dihydroxylation, this affords the N-cyclopentenyl-lactam compounds in racemic form. Given the numerous uses of nucleosides and related compounds, we were interested in the synthesis of carbocylic nucleoside mimics. The attempts and results are described herein.

}, keywords = {Aube reaction, Biological activity, carbocyclic nucleosides, cyclopentenylated lactams, cyclopentylated lactams}, issn = {1860-5397}, doi = {10.3762/bjoc.11.119}, author = {Shinde, Madhuri V. and Ople, Rohini S. and Sangtani, Ekta and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI:000350698600007, title = {Synthesis of novel silica-polyimide nanocomposite films using aromatic-amino modified silica nanoparticles: mechanical, thermal and morphological investigations}, journal = {Express Polymer Letters}, volume = {9}, number = {5}, year = {2015}, month = {MAY}, pages = {469-479}, publisher = {BUDAPEST UNIV TECHNOL \& ECON}, address = {DEPT POLYMER ENG, MUEGYETEM RKP 3, BUDAPEST, H-1111, HUNGARY}, abstract = {

Silica nanoparticles were modified with aromatic amino groups and modified-silica/polyimide composite films were prepared using them. 3,3!, 4,4!-Benzophenone tetracarboxylic dianhydride (BTDA) and 4,4!-oxydianiline (ODA) were used as precursors for polyimide matrix. The structures of the modified nanoparticles and hybrid nanocomposites were identified using Fourier Transform Infrared (FTIR) spectrometry. The hybrid composite films were evaluated for mechanical, thermal and morphological characteristics. Morphological results describe a uniform dispersion of silica particles in the polymer matrix. The thermal stability and mechanical properties of polyimide composite were improved, and the decomposition temperature was increased when the amount of silica nanoparticles was increased.

}, keywords = {hybrid polyimide composites, mechanical properties, Nanocomposites, nanoparticle modification, Thermal properties}, issn = {1788-618X}, doi = {10.3144/expresspolymlett.2015.44}, author = {Ghorpade, Ravindra V. and Rajan, C. R. and Chavan, Nayaku and Ponrathnam, S.} } @article { ISI:000350219700005, title = {Synthesis of yangjinhualine A}, journal = {Synthesis-Stuttgart}, volume = {47}, number = {4}, year = {2015}, month = {FEB}, pages = {485-488}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Selective reduction of 3-(4-hydroxyphenyl)-2-methylmaleic anhydride provides access the corresponding gamma-hydroxybutenolide natural product yangjinhualine A.

}, keywords = {anhydrides, lactones, Natural products, reduction, Regioselectivity}, issn = {0039-7881}, doi = {10.1055/s-0034-1379582}, author = {Deore, Prashant S. and Batwal, Ramesh U. and N. P. Argade} } @article { ISI:000358337700009, title = {Synthesis, optoelectronic, and transistor properties of BODIPY- and cyclopenta[c]thiophene-containing pi-conjugated copolymers}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {28}, year = {2015}, month = {JUL}, pages = {15859-15867}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Three new low-band-gap copolymers were synthesized by fusing dipyrromethene difluoroborane (BODIPY) as the acceptor (A) and thiophene-capped 5,5-bis(hexyloxymethyl)-5,6-dihydro-4H-cyclopenta[c]-thiophene (CPT) as the donor (D). The BODIPY unit was copolymerized through the {\textquoteleft}alpha{\textquoteright} positions (1 and 7 positions) in P1 and through the {\textquoteleft}beta{\textquoteright} positions (2 and 6 positions) in P2 and P3. The additional acetylene unit between D and A in P3 enhanced the conjugation by minimizing the possible steric hindrance compared to that in P2, whereas P1 exhibited a more red-shifted absorption than P2 and P3 because of the more effective conjugaion through the {\textquoteleft}alpha{\textquoteright} positions of BODIPY. Importantly, the optical band gaps (E-g(opt)) obtained from the onset of the absorption spectra are 1.28, 1.71, and 1.57 eV for P1, P2, and P3, respectively. P1 has the lowest band gap for any CPT-containing polymer. In the best transistor devices, a mobility improvement by 4 orders of magnitude from 3.22 x 10(-6) cm(2) V-1 s(-1) for P2 to 0.01 cm(2) V-1 s(-1) for P1 was achieved. DFT calculations alongside measured charge-transport properties indicated that appreciable alterations in the optoelectronic properties of the polymers were achieved through minor changes in their structural features. The polymers were further characterized by thin-film X-ray diffraction, atomic force microscopy, and spectroelectrochemistry to investigate their material and electrochemical properties.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b02743}, author = {Debnath, Sashi and Singh, Saumya and Bedi, Anjan and Krishnamoorthy, Kothandam and Zade, Sanjio S.} } @article { ISI:000363970700011, title = {Synthetic biological circuits: digital or analog?}, journal = {Current Science}, volume = {109}, number = {8}, year = {2015}, month = {OCT}, pages = {1386-1387}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Busupalli, Balanagulu} } @article { ISI:000362239300030, title = {Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities}, journal = {Chemical Physics Letters}, volume = {635}, year = {2015}, month = {AUG}, pages = {168-173}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A comparative study of dipole moments, polarizabilities and hyperpolarizabilities of 16 different molecules is performed employing two completely different theoretical approaches namely, density functional theory (DFT) and coupled cluster singles and doubles (CCSD). Both methods include electron correlation. The CCSD method is more accurate but highly expensive. DFT with auxiliary density allows non-iterative solutions which is computational advantage and useful for large molecules. Dipole moments and polarizability calculations from DFT are in very good agreement with CCSD calculations. However, negative hyperpolarizability values from DFT differ significantly from their CCSD counterparts, whereas positive hyperpolarizabilities show reasonable agreement between these methodologies. (C) 2015 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2015.06.046}, author = {Karne, Anagha S. and Vaval, Nayana and Pal, Sourav and Vasquez-Perez, Jose M. and Koester, Andreas M. and Calaminici, Patrizia} } @article { ISI:000361649900037, title = {Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities (vol 635, pg 168, 2015)}, journal = {Chemical Physics Letters}, volume = {636}, year = {2015}, month = {SEP}, pages = {228-229}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {0009-2614}, doi = {10.1016/j.cplett.2015.08.034}, author = {Karne, Anagha S. and Vaval, Nayana and Pal, Sourav and Vasquez-Perez, Jose M. and Koester, Andreas M. and Calaminici, Patrizia} } @article { ISI:000353057300005, title = {Systemic jasmonic acid modulation in mycorrhizal tomato plants and its role in induced resistance against alternaria alternata}, journal = {Plant Biology}, volume = {17}, number = {3}, year = {2015}, month = {MAY}, pages = {625-631}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Tomato plants colonised with the arbuscular mycorrhizal (AM) fungus Glomus fasciculatum show systemic induced resistance to the foliar pathogen Alternaria alternata, as observed in interactions of other AM-colonised plants with a range of pathogens. The role of jasmonic (JA) and salicylic (SA) acid in expression of this mycorrhiza-induced resistance (MIR) against A.alternata was studied by measuring: (i) activity of enzymes reported to be involved in their biosynthesis, namely lipoxygenase (LOX) and phenylammonia lyase (PAL); and (ii) levels of methyl jasmonate (MeJA) and SA. Transcript abundance of some defence genes associated with JA and SA response pathways were also studied. Both LOX and PAL activity increased twofold in response to pathogen application to control plants. AM-colonised plants had three-fold higher LOX activity compared to control plants, but unlike controls, this did not increase further in response to pathogen application. Higher LOX activity in AM-colonised plants correlated with four-fold higher MeJA in leaves of AM-colonised plants compared to controls. Treatment of plants with the JA biosynthesis inhibitor salicylhydroxamic acid (SHAM) led to 50\% lower MeJA in both control and AM-colonised plants and correlated with increased susceptibility to A.alternata, suggesting a causal role for JA in expression of MIR against the pathogen. Genes involved in JA biosynthesis (OPR3) and response (COI1) showed six- and 42-fold higher expression, respectively, in leaves of AM-colonised plants compared to controls. AM-colonised plants also showed increased expression of the SA response gene PR1 and that of the wound-inducible polypeptide prosystemin. Our results suggest that the systemic increase in JA in response to AM colonisation plays a key role in expression of MIR against A. alternata.

}, keywords = {Alternaria alternata, AM colonisation, induced resistance, Methyl jasmonate, salicylhydroxamic acid, Salicylic acid, Solanum lycopersicum}, issn = {1435-8603}, doi = {10.1111/plb.12277}, author = {Nair, A. and Kolet, Swati P. and Thulasiram, H. V. and Bhargava, S.} } @inbook {45874, title = {Salvia miltiorrhiza: A medicinal herb from metabolites to pathway engineering}, booktitle = {Medicinal plants - recent advances in research and development}, year = {2016}, pages = {215-238}, publisher = {Springer }, organization = {Springer }, address = {Singapore}, abstract = {The dried, red-colored roots of Salvia miltiorrhiza (Lamiaceae) also called {\textquotedblleft}danshen{\textquotedblright} in colloquial language in China have been used in traditional Chinese medicine for thousands of years to treat hypertension and other cardiovascular ailments. The main constituents of danshen are hydrophilic phenolic acids and lipophilic tanshinones. The various uses of danshen in traditional as well as modern medicines have motivated an intensive research on compounds in S. miltiorrhiza. In recent years, more than 110 compounds have been isolated from S. miltiorrhiza and their structure was identified. Tanshinones and their derivatives have been demonstrated to possess properties of slowing down or curing various ailments related to cardiovascular, cerebrovascular, respiratory, liver, nervous system, cancer, Alzheimer{\textquoteright}s, and Parkinson{\textquoteright}s diseases. With the increasing demand of this herb, an unrestricted collection to supply raw materials and the extraction of its constituents have severely threatened the natural habitats of S miltiorrhiza. This has prompted the researchers to develop alternative strategies for metabolite production. Several in vitro methodologies have been established to generate callus, cell suspension culture, hairy roots, and plant regeneration. Different regulators and elicitors for plant growth have been employed to enhance levels of different constituents. The advent of sequencing technologies, whole genome, and expression data has helped to provide insights and identification of pathway genes involved in the biosynthesis. This book chapter gives a brief description of in vitro methodologies, use of different elicitors, gene functions, genetic modifications, expression profiling for a better understanding, and enhancement of the constituents in S. miltiorrhiza. }, doi = {10.1007/978-981-10-1085-9_8}, author = {Gupta, S. K. and Sharma, P. and Agrawal, D. C. and Tsay, H.-S.} } @article {43617, title = {Scalability of coarse-grained potentials generated from iterative boltzmann inversion forpolymers: case study on polycarbonates}, journal = {Macromolecular Theory and Simulations}, volume = {25}, year = {2016}, month = {MAY}, pages = {274-286}, abstract = {Using systematic coarse-grained (CG) techniques such as iterative Boltzmann inversion (IBI) is an efficient means to simulate high molecular weight polymer melts within reasonable computational time. One drawback of such an approach is however the need to carry out extensive atomistic simulations in order to extrapolate the necessary distributions to derive the inter and intrabead force field parameters. Here it is shown that it is possible to use atomistic simulations of relative short oligomers to develop the CG model for high molecular weight polymers. In particular for the specific case of polycarbonates, it is found that the structural properties (end-to-end distance, radius of gyration and their distributions) are similar irrespective of whether the CG potentials are derived from 5-mer or 10-mer melt systems. Dynamical properties of the CG systems are smoother and faster than the atomistic ones. Scaling factor, derived by overlapping the CG mean square displacement curves (obtained from different CG IBI potentials) over the atomistic ones, also scales the autocorrelation functions. A prediction of the dynamical scaling factor in the case of the unavailability of atomistic simulations is also discussed. The dynamical properties of the CG melts are modeled reasonably well by all the CG potentials derived from atomistic simulations of short oligomers.}, doi = {10.1002/mats.201500079}, author = {Choudhury, Chandan Kumar and Carbone, Paola and Roy, Sudip} } @article { ISI:000377612300015, title = {Scandium triflate catalyzed unexpected cleavage of C-C bonds in ynones}, journal = {Arkivoc}, number = {2}, year = {2016}, month = {NOV}, pages = {223-232}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

An unexpected C-C bond cleavage in ynones in the presence of catalytic amounts of Sc(OTf)(3) in methanol under microwave irradiation has been discussed. The effect of substituent on the regioselectivity of C-C bond cleavage has carefully been addressed by employing various ynones derivatives. The mechanism has been proposed for the observed regioselectivity.

}, keywords = {C-C bond cleavage, Esters, Ketones, scandium triflate, ynones}, issn = {1551-7004}, doi = {10.3998/ark.5550190.p009.244}, author = {Kavthe, Rahul D. and Bansode, Avinash H. and Patil, Nitin T.} } @article {42621, title = {Search for parity and time reversal violating effects in HgH: relativistic coupled-cluster study}, journal = {Journal of Chemical Physics}, volume = {144}, year = {2016}, month = {MAR}, pages = {Article No. 124307}, abstract = {

The high effective electric field (E-eff) experienced by the unpaired electron in an atom or a molecule is one of the key ingredients in the success of electron electric dipole moment (eEDM) experiment and its precise calculation requires a very accurate theory. We, therefore, employed the Z-vector method in the relativistic coupled-cluster framework and found that HgH has a very large E-eff value (123.2 GV/cm) which makes it a potential candidate for the next generation eEDM experiment. Our study also reveals that it has a large scalar-pseudoscalar (S-PS) P, T-violating interaction constant, W-s = 284.2 kHz. To judge the accuracy of the obtained results, we have calculated parallel and perpendicular magnetic hyperfine structure (HFS) constants and compared with the available experimental values. The results of our calculation are found to be in nice agreement with the experimental values. Therefore, by looking at the HFS results, we can say that both E-eff and W-s values are also very accurate. Further, We have derived the relationship between these quantities and the ratio which will help to get model independent value of eEDM and S-PS interaction constant. (C) 2016 AIP Publishing LLC.

}, doi = {10.1063/1.4944673}, author = {Sasmal, Sudip and Pathak, Himadri and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article { ISI:000369658100031, title = {Seeding of Au on CdSe/CdS nanoplates using Langmuir-Blodgett technique}, journal = {RSC Advances}, volume = {6}, number = {18}, year = {2016}, month = {JAN}, pages = {14658-14665}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Oleyl amine capped CdSe/CdS nanoplates were synthesized by hot injection technique which formed a stable monolayer over both a water subphase and an aqueous HAuCl4 subphase using a Langmuir-Blodgett trough. Au islands were generated at the edge as well as on one specific surface of the flat nanoplates by exploiting the reducing capacity of oleyl amine to form Au nanoseeds from AuCl4- ions. The initial Au nanoseeds changed to a shell surrounding these nanoplates on prolonged exposure to the subphase containing the Au precursor. Monolayer of the hybrid structures was deposited onto suitable substrates for characterization by a number of different techniques and to study the photocatalytic activity. The same substrate with the monolayers could be re-used in several cycles of photocatalysis.

}, issn = {2046-2069}, doi = {10.1039/c5ra26018c}, author = {Das, Subhasis and Satpati, Biswarup and Chauhan, Himani and Deka, Sasanka and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000368952100001, title = {Selective detection of Fe3+, Cr3+ and Cu2+ in water using highly luminescent Gd2O3:Eu3+ nanoparticles}, journal = {Journal of Luminescence}, volume = {171}, year = {2016}, month = {MAR}, pages = {1-8}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Rod shaped Eu3+ doped Gd2O3 nanoparticles were synthesised by a simple wet-chemical method followed by high temperature heating at 700 degrees C. The nanoparticles were characterised by X-ray diffraction (XRD), infra-red (IR), transmission electron microscopy (TEM), x-ray photonelectron spectroscopy (XPS), photoluminescence (PL) studies and lifetime measurement. The particles show strong host sensitised luminescence in water. Luminescence in water is selectively quenched by Fe3+, Cr3+ and Cu2+ ions. This luminescence quenching phenomenon has been utilised to detect metal ions in synthetic water and environmental water samples. Results obtained by luminescence quenching for environmental water samples are in good agreement with the results obtained from inductively coupled plasma atomic emission spectroscopy (ICP-AES) study. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Detection, Luminescence, Nanoparticles, Quenching, Sensitization}, issn = {0022-2313}, doi = {10.1016/j.jlumin.2015.10.020}, author = {Ghosh, Debasish and Luwang, Meitram Niraj} } @article { ISI:000362736300014, title = {Selective solid-phase extraction of metal for water decontamination}, journal = {Journal of Applied Polymer Science}, volume = {133}, number = {1}, year = {2016}, month = {JAN}, pages = {42849}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Metal-contaminated industrial effluent is a major concern for human health. Therefore, the removal of metal is of primary importance. In this study, metals were selectively extracted from water. Selective metal recovery was studied with a crown-ether-based polymer, wherein the selectivity was observed for strontium over lead. Parameters influencing the metal recovery, such as the contact time, adsorbent dosage, and metal-ion concentration, were evaluated. Interestingly, the adsorption rate of strontium was exponentially increased for the initial 4 h, and lead was adsorbed exponentially after 6 h. Notably, 98\% strontium adsorption and 64\% lead adsorption were obtained in 24 h. The Langmuir adsorption isotherm was in good agreement and demonstrated that the reactive sites of the adsorbent were homogeneous with monolayer metal adsorption with an adsorbent. The Freundlich adsorption isotherm was not obeyed by both metals. The pseudo-first-order and pseudo-second-order kinetics indicated that strontium was adsorbed by chemisorption and lead was adsorbed by physisorption. (c) 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 132, 42849.

}, keywords = {Adsorption, copolymers, crosslinking, kinetics, radical polymerization}, issn = {0021-8995}, doi = {10.1002/app.42849}, author = {Mane, Sachin and Ponrathnam, Surendra and Chavan, Nayaku} } @article {42430, title = {Selective synthesis of N-unsubstituted and N-arylindoles by the reaction of arynes with azirines}, journal = {Journal of Organic Chemistry}, volume = {81}, year = {2016}, month = {SEP}, pages = {8604-8611}, abstract = {

The transition-metal-free and temperature-dependent highly selective reaction of arynes with 2H-azirines allowing the synthesis of either N-unsubstituted or N-arylindoles has been developed. At 60 degrees C, arynes generated from 2-(trimethylsilyl)aryl triflates smoothly insert into 2H-azirines to form 2,3-diarylindoles with high selectivity. Interestingly, when the reaction was performed at -10 degrees C, the selectivity was switched to the formation of 1,2,3-triarylindoles in good yields.

}, doi = {10.1021/acs.joc.6b01472}, author = {Thangaraj, Manikandan and Bhojgude, Sachin Suresh and "Jain, Shailja" and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {42546, title = {Selectivity engineering of the diazotization reaction in a continuous flow reactor}, journal = {Reaction Chemistry \& Engineering}, volume = {1}, year = {2016}, month = {APR}, pages = {387-396}, abstract = {

In situ generated diazonium salts are useful intermediates for the synthesis of fine chemicals and active pharmaceutical ingredients. This paper presents a methodology for selectivity engineering of the diazotization reaction in a continuous reactor. The yield of diazotization was found to depend on mixing, dispersion, reaction kinetics, operating temperature and residence time. Initially, experimental data and an isothermal axial dispersion model were used for estimating mixing time. A correlation for estimating mixing time for different flow reactors is proposed. The model predictions were compared with the experimental data. The validated axial dispersion model and Central Composite Design (CCD) were used to optimize diazotization in a straight tube reactor (1.78 mL). The model was then used for scaling-up of aniline diazotization from a straight tube reactor to a proprietary AmAR3 reactor (scale-up ratio of \~{}20). The initial concentration, inlet temperature, average heat capacity of the reaction mixture, mixing, residence time (distribution) and available heat transfer area per unit volume of the reactor were found to be the key parameters for scaling-up of the diazotization reaction. The presented approach and results will be useful to practicing chemists and engineers for enhancing the selectivity of diazotization reactions in continuous reactors.

}, doi = {10.1039/C5RE00056D}, author = {Shukla, C. A. and Kulkarni, Amol A. and Ranade, Vivek V.} } @article {43609, title = {Selenium-containing fused bicyclic heterocycle diselenolodiselenole: field effect transistorstudy and structure property relationship}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {JUL}, pages = {18222-18230}, abstract = {The first application of the diselenolodiselenole (C4Se4) heterocycle as an active organic field effect transistor materials is demonstrated here. C4Se4 derivatives (2a-2d) were obtained by using a newly developed straightforward diselenocyclization protocol, which includes the reaction of diynes with selenium powder at elevated temperature. C4Se4 derivatives exhibit strong donor characteristics and planar structure (except 2d). The atomic force microscopic analysis and thin-film X-ray diffraction pattern of compounds 2a-2d indicated the formation of distinct crystalline films that contain large domains. A scanning electron microscopy study of compound 2b showed development of symmetrical grains with an average diameter of 150 nm. Interestingly, 2b exhibited superior hole mobility, approaching 0.027 cm(2) V-1 s(-1) with a transconductance of 9.2 mu S. This study correlate the effect of p-stacking, Se center dot center dot center dot Se intermolecular interaction, and planarity with the charge transport properties and performance in the field effect transistor devices. We have shown that the planarity in C4Se4 derivatives was achieved by varying the end groups attached to the C4Se4 core. In turn, optoelectronic properties can also be tuned for all these derivatives by end-group variation.}, doi = {10.1021/acsami.6b02154}, author = {Debnath, Sashi and Chithiravel, Sundaresan and Sharma, Sagar and Bedi, Anjan and Krishnamoorthy, Kothandam and Zade, Sanjio S.} } @article {42665, title = {Self- assembly of isomannide-based monoesters of C18-fatty acids and their cellular uptake studies}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {JUL}, pages = { 72074-72079}, type = {Article}, abstract = {

The self-assembling behavior of oleic, elaidic and stearic acid-isomannide glycolipids is revealed. Amongst these, oleic and elaidic acid-based isomannide lipids self-assembled to form microspheres which were efficiently taken up by cancer cell lines enabling their usage for drug delivery applications.

}, issn = {2046-2069}, doi = {10.1039/C6RA05608C}, author = {Dhasaiyan, Prabhu and Parekh, Nimisha and Reddy, T. Vijai Kumar and Rani, G. Sandhya and Devi, B. L. A. Prabhavathi and Bhagavatula L. V. Prasad} } @article { ISI:000382122200014, title = {Self-assembled vesicles of urea-tethered foldamers as hydrophobic drug carriers}, journal = {Chemical Communications}, volume = {52}, number = {71}, year = {2016}, month = {AUG}, pages = {10771-10774}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Molecular self-assembly of nonamphiphilic alpha,beta-hybrid foldamers based on urea-tethered anthranilic acid-proline (Ant-Pro) foldamers is reported. These self-assembled hollow vesicular architectures can take up and release the anticancer hydrophobic drug curcumin.

}, issn = {1359-7345}, doi = {10.1039/c6cc05079d}, author = {Ingole, Tukaram S. and Kale, Sangram S. and Sukumaran, Santhosh Babu and Sanjayan, Gangadhar J.} } @inbook {43302, title = {Self-assembly of biohybrid polymers}, booktitle = {Macromolecular self-assembly}, year = {2016}, pages = {193-229}, publisher = {John Wiley \& Sons, Inc.}, organization = {John Wiley \& Sons, Inc.}, chapter = {7}, address = {New York :}, abstract = {

Self-assembly is considered to be the process through which building blocks spontaneously organize into well-defined frequently functional structures. The tailoring of properties of such structures has drawn attention in various fields, in particular, in enzymatic cascade reactions, drug delivery, amphiphilic copolymer nanocontainers, and nanoreactors. Polymer-DNA hybrid self-assemblies, in addition to responsiveness to ionic strength, are sensitive to hybridization, which renders the establishment of a theoretical framework challenging when both specific hydrogen bonding between complementary sequences and association are to be taken into consideration. Numerous various highly characterized self-assemblies are recognized to organize through nucleation dependent polymerization, including microtubule formation, sickle-cell fibril formation, flagellum assembly, among others. Interpolyelectrolyte complexes (IPECs) have attracted attention due to the large number of emerging and potential applications. Environmental factors such as the medium also play a role in the complex formation process, especially pH and ionic strength.

}, doi = {10.1002/9781118887813.ch7 }, author = {Kedracki, Dawid and Abraham, Jancy Nixon and Prado, Enora and Nardin, Corinne} } @article {43662, title = {Self-exfoliated metal-organic nanosheets through hydrolytic unfolding of metal-organic polyhedra}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2016}, month = {MAY}, pages = {7361-7366}, chapter = {7361-7366}, abstract = {Few-layers thick metal-organic nanosheets have been synthesized using water-assisted solid-state transformation through a combined top-down and bottom-up approach. The metal-organic polyhedra (MOPs) convert into metal-organic frameworks (MOFs) which subsequently selfexfoliate into few-layered metal-organic nanosheets. These MOP crystals experience a hydrophobicity gradient with the inner surface during contact with water because of the existence of hydrophobic spikes on their outer surface. When the amount of water available for interaction is higher, the resultant layers are not stacked to form bulk materials; instead few-layered nanosheets with high uniformity were obtained in high yield. The phenomenon has resulted high yield production of uniformly distributed layered metal-organic nanosheets from three different MOPs, showing its general adaptability.}, doi = {10.1002/chem.201700848}, author = {Garai, Bikash and Mallick, Arijit and Das, Anuja and Mukherjee, Rabibrata and Banerjee, Rahul} } @article {42554, title = {Sequence characterization and in silico structure prediction of fatty acid desaturases in linseed varieties with differential fatty acid composition}, journal = {Journal of the Science of Food and Agriculture}, volume = {96}, year = {2016}, month = {DEC}, pages = {4896-4906}, abstract = {

BACKGROUND: Linseed is the richest agricultural source of alpha-linolenic acid (ALA), an omega-3 fatty acid (FA) that offers several nutritional benefits. In the present study, sequence characterization of six desaturase genes (SAD1, SAD2, FAD2, FAD2-2, FAD3A and FAD3B) and 3D structure prediction of their proteins from ten Indian linseed varieties differing in ALA content were performed to determine whether the nucleotide and amino acid (AA) sequence variants have any functional implications in differential accumulation of ALA or other FAs in linseed. RESULTS: The SAD and FAD2 genes exhibited few sequence variations among the ten varieties, forming only one or two protein isoforms. In contrast, the FAD3A and FAD3B genes showed more sequence variations and three or four protein isoforms. Interestingly, the two high-ALA varieties NL260 and Padmini had the same FAD3B nucleotide and protein isoforms, which differed from all other varieties. Surprisingly, no AA changes altered the 3D structures of the desaturase proteins. CONCLUSION: Several nucleotide and AA sequence variations in desaturase genes were observed; however, they did not alter the 3D structure of any desaturase protein and were not correlated with FA levels among the ten linseed varieties, which had different ALA contents. This suggests a complex regulatory process of biosynthesis of FAs in linseed. (C) 2016 Society of Chemical Industry

}, doi = {10.1002/jsfa.7775}, author = {Rajwade, Ashwini V. and Joshi, Rakesh S. and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article { ISI:000374811300057, title = {Shape and size engineered cellulosic nanomaterials as broad spectrum anti-microbial compounds}, journal = {International Journal of Biological Macromolecules}, volume = {87}, year = {2016}, month = {JUN}, pages = {460-465}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Oxidized celluloses have been used for decades as antimicrobial wound gauzes and surgical cotton. We now report the successful synthesis of a next generation narrow size range (25-35 nm) spherical shaped nanoparticles of 2,3,6-tricarboxycellulose based on cellulose I structural features, for applications as new antimicrobial materials. This study adds to our previous study of 6-carboxycellulose. A wide range of bacteria such as Escherichia coli, Staphloccocus aureus, Bacillus subtilis and Mycobacterium tuberculosis (non-pathogenic as well as pathogenic strains) were affected by these polymers in in vitro studies. Activity against Mycobacteria were noted at high concentrations (MIC99 values 250-1000 mu g/ml, as compared to anti-TB drug Isoniazid 0.3 mu g/ml). However, the broad spectrum activity of oxidized celluloses and their nanoparticles against a wide range of bacteria, including Mycobacteria, show that these materials are promising new biocompatible and biodegradable drug delivery vehicles wherein they can play the dual role of being a drug encapsulant as well as a broad spectrum anti-microbial and anti-TB drug. (C) 2016 Published by Elsevier B.V.

}, keywords = {Anti-microbial, cellulose, Spherical nanoparticles, Tricarboxycellulose}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2016.02.024}, author = {Sharma, Priyanka R. and Kamble, Sunil and Sarkar, Dhiman and Anand, Amitesh and Varma, Anjanikumar} } @article {43421, title = {Shear stress increases cytotoxicity and reduces transfection efficiency of liposomal gene delivery to CHO-S cells}, journal = {Cytotechnology}, volume = {68}, year = {2016}, month = {DEC}, pages = {2529-2538}, abstract = {Animal cells in suspension experience shear stress in different situations such as in vivo due to hemodynamics, or in vitro due to agitation in large-scale bioreactors. Shear stress is known to affect cell physiology, including binding and uptake of extracellular cargo. In adherent cells the effects of exposure to shear stress on particle binding kinetics and uptake have been studied. There are however no reports on the effect of shear stress on extracellular cargo delivery to suspension cells. In this study, we have evaluated the effect of shear stress on transfection of CHO-S cells using Lipofectamine 2000 in a simple flow apparatus. Our results show decreased cell growth and transfection efficiency upon lipoplex assisted transfection of CHO-S while being subjected to shear stress. This effect is not seen to the same extent when cells are exposed to shear stress in absence of the lipoplex complex and subsequently transfected, or if the lipoplex is subjected to shear stress and subsequently used to transfect the cells. It is also not seen to the same extent when cells are exposed to shear stress in presence of liposome alone, suggesting that the observed effect is dependent on interaction of the lipoplex with cells in the presence of shear stress. These results suggest that studies involving liposomal DNA delivery in presence of shear stress such as large scale transient protein expression should account for the effect of shear during lipoplex assisted DNA delivery.}, doi = {10.1007/s10616-016-9974-1}, author = {Rawat, Jyoti and Gadgil, Mugdha} } @article { ISI:000372612600009, title = {Signatures of protein thermal denaturation and local hydrophobicity in domain specific hydration behavior: a comparative molecular dynamics study}, journal = {Molecular Biosystems}, volume = {12}, number = {4}, year = {2016}, month = {FEB}, pages = {1139-1150}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We investigate, using atomistic molecular dynamics simulations, the association of surface hydration accompanying local unfolding in the mesophilic protein Yfh1 under a series of thermal conditions spanning its cold and heat denaturation temperatures. The results are benchmarked against the thermally stable protein, Ubq, and behavior at the maximum stability temperature. Local unfolding in Yfh1, predominantly in the beta sheet regions, is in qualitative agreement with recent solution NMR studies; the corresponding Ubq unfolding is not observed. Interestingly, all domains, except for the beta sheet domains of Yfh1, show increased effective surface hydrophobicity with increase in temperature, as reflected by the density fluctuations of the hydration layer. Velocity autocorrelation functions (VACF) of oxygen atoms of water within the hydration layers and the corresponding vibrational density of states (VDOS) are used to characterize alteration in dynamical behavior accompanying the temperature dependent local unfolding. Enhanced caging effects accompanying transverse oscillations of the water molecules are found to occur with the increase in temperature preferentially for the beta sheet domains of Yfh1. Helical domains of both proteins exhibit similar trends in VDOS with changes in temperature. This work demonstrates the existence of key signatures of the local onset of protein thermal denaturation in solvent dynamical behavior.

}, issn = {1742-206X}, doi = {10.1039/c6mb00017g}, author = {Chatterjee, Prathit and Sengupta, Neelanjana} } @inbook {43049, title = {Silanetriols and aluminosilicates}, booktitle = {Efficient methods for preparing silicon compounds}, year = {2016}, pages = {221-231}, publisher = {Academic Press, Elsevier}, organization = {Academic Press, Elsevier}, chapter = {17}, address = {Netherland}, author = {Sen, Sakya S. and Roesky, Herbert W.} } @article {45642, title = {Silk fibroin-sophorolipid gelation: deciphering the underlying mechanism}, journal = {Biomacromolecules}, volume = {17}, year = {2016}, month = {OCT}, pages = {3318-3327}, type = {Article}, abstract = {

Silk fibroin (SF) protein, produced by silkworm Bombyx mori, is a promising biomaterial, while sophorolipid (SL) is an amphiphilic functional biosurfactant synthesized by nonpathogenic yeast Candida bombicola. SL is a mixture of two forms, acidic (ASL) and lactonic (LSL), which when added to SF results in accelerated gelation of silk fibroin. LSL is known to have multiple biological functionalities and hence hydrogels of these green molecules have promising applications in the biomedical sector. In this work, SANS, NMR, and rheology are employed to examine the assembling properties of individual and mixed SLs and their interactions with SF to understand the mechanism that leads to rapid gelation. SANS and NMR studies show that ASL assembles to form charged micelles, while LSL forms micellar assemblies and aggregates of a mass fractal nature. ASL and LSL together form larger mixed micelles, all of which interact differently with SF. It is shown that preferential binding of LSL to SF causes rapid unfolding of the SF chain leading to the formation of intermolecular beta sheets, which trigger fast gelation. Based on the observations, a mechanism for gelation of SF in the presence of different sophorolipids is proposed.

}, issn = {1525-7797}, doi = {10.1021/acs.biomac.6b01069}, author = {Dubey, Parul and Kumar, Sugam and Aswal, Vinod K. and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R. and Prabhune, Asmita and Nisal, Anuya} } @article {42669, title = {Silver nanoparticles: a new perspective in endodontic therapy}, journal = {OAB Journal}, volume = {7}, year = {2016}, month = {JUN}, pages = { 77-81}, abstract = {

Silver has been in use in medicine since time immemorial because of its antimicrobial properties. But due to the emergence of antibiotics the use of silver has been declined. Several pathogenic bacteria have developed resistance against various antibiotics. This has led to reemergence of silver. Recently nano science and nanotechnology are gaining tremendous popularity. The small size of nanoparticles provides larger surface area and hence increases the effectiveness of nanoparticles. Silver nanoparticles are used in medical and dental applications ranging from silver based wound dressings, silver coated medicinal devices like catheters, endotrachial tubes, bone cements, in gels, lotions, cosmetics, in dental restorative materials, endodontic cements, dental implants caries inhibitory agents, and in prosthesis. The purpose of this article is to discuss briefly the potential role of silver nano particles in endodontic therapy.

}, author = {Jadhav, Rajashree and Bhide, Shrinivas and Bhagavatula L. V. Prasad and Kunchiraman, Bipinraj and Shimpi, Jayesh and Nandhini, Usha} } @article { ISI:000372425600066, title = {Simple, phosphine free, reusable Pd(II)-2,2 {\textquoteleft}-dihydroxybenzophenone-SBA-15 catalyst for arylation and hydrogenation reactions of alkenes}, journal = {New Journal of Chemistry}, volume = {40}, number = {3}, year = {2016}, month = {JAN}, pages = {2423-2432}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An efficient, simple, phosphine and co-catalyst free C-C coupling reaction heterogeneous catalyst via a post grafting method is developed and reported. A covalently anchored phosphine free Pd(II) based 2,2{\textquoteright}-dihydroxybenzophenone (DHBP) complex over organofunctionalized SBA-15 has been synthesized by the reaction between aminofunctionalized SBA-15 (NH(2)SBA-15) and a 2,2{\textquoteright}-dihydroxybenzophenone (DHBP) ligand, and further complexation with Pd(II)Cl-2 to get Pd(II)-DHBP@ SBA-15. The synthesized catalysts were characterized by elemental analysis, XRD, N-2 sorption analyses, TG, DTA, FT-IR, solid state C-13 and Si-29 NMR spectra, XPS, UV-Visible, SEM, EDAX and TEM. The synthesized catalysts were screened in arylation (Heck reactions) and hydrogenation reactions of alkenes, and the results show that Pd(II)-DHBP@ SBA-15 exhibits high conversion and selectivity towards arylation and hydrogenation reactions of alkenes with high stability. The anchored solid catalysts can be recycled effectively and reused several times without major loss in activity.

}, issn = {1144-0546}, doi = {10.1039/c5nj02686e}, author = {Lazar, Anish and Vinod, Chathakudath P. and Singh, Anand Pal} } @article { ISI:000381122100030, title = {Single pot transfer hydrogenation and aldolization of furfural over metal oxide catalysts}, journal = {Catalysis Letters}, volume = {146}, number = {8}, year = {2016}, month = {AUG}, pages = {1611-1619}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

One pot catalytic transfer hydrogenation (CTH) of furfural to furfuryl alcohol (FAL) by using hydrogen producing alcohols and simultaneous aldolization of carbonyl compounds produced during CTH, with furfural was achieved over non-noble metal oxides with bifunctional sites. Basic sites of MgO responsible for abstraction of proton showed complete conversion of furfural to give FAL and C8 monomer in a ratio of 3:1, respectively, the later altered to 1:1 by incorporating Al into MgO. Catalyst stability was established by its four cycles study. [GRAPHICS]

}, keywords = {Aldol, furfural, Furfuryl alcohol, Metal oxides, transfer hydrogenation}, issn = {1011-372X}, doi = {10.1007/s10562-016-1786-6}, author = {Biradar, Narayan S. and Hengne, Amol M. and Sakate, S. S. and Swami, R. K. and Rode, Chandrashekhar V.} } @conference {45824, title = {Single SnO2 Nanowire: field emission investigations}, booktitle = {2016 29th International Vacuum Nanoelectronics Conference (IVNC)}, year = {2016}, month = {JUL}, publisher = {IEEE, 345 E 47th St, New York, NY 10017 USA}, organization = {IEEE, 345 E 47th St, New York, NY 10017 USA}, address = {345 E 47th St, New York, NY 10017 USA}, abstract = {

The present work deals with the field emission study on multiple SnO2 nanowires synthesized by simple thermal evaporation method. For the realistic analysis of the Fowler Nordheim plot of the semiconducting SnO2, field emission behavior of a single nanowire is studied. A relevant model explaining the field emission mechanism from the single SnO2 nanowire is also proposed by the authors.

}, keywords = {SnO2 nanowire}, isbn = {978-1-5090-2419-3}, author = {Joshi, D. and Joag, Dilip S. and Mulla, Imtiaz S. and Late, Dattatray J.} } @article { ISI:000380038000012, title = {Site-selective synthesis and characterization of BODIPY-acetylene copolymers and their transistor properties}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {54}, number = {13}, year = {2016}, month = {JUL}, pages = {1978-1986}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

To study the effect of site-selective copolymerization of borondipyrromethene (BODIPY) with acetylene on the structural and optoelectronic properties, three copolymers P1-P3 were synthesized by the Sonogashira cross-coupling of BODIPY units with diacetylene and bromine capping through all the possible linkages: alpha-alpha (P1), alpha-beta (P2), and beta-beta (P3). The optoelectronic properties of the polymers were investigated systematically to understand the effect of site-selective polymerization. The HOMO levels of the polymers were significantly tuned from P1 to P3 with negligible change in the LUMO levels. Broadening of absorption spectra from P3 to P1 was observed because of increase in the extent of conjugation. Additionally, the charge transport properties of these polymers in organic thin-film transistors (OTFTs) revealed that P1 and P3 exhibited only p-type mobility, whereas P2 exhibited electron mobility. Notably, the further investigations of the surface morphology of polymer films by atomic force microscopy (AFM) unveiled that comb like nanostructural arrangements in P3 was beneficial for the charge-carrier mobility over the circular arrangements in P1 and P2. (C) 2016 Wiley Periodicals, Inc.

}, keywords = {acetylene, BODIPY, DFT, low-band gap}, issn = {0887-624X}, doi = {10.1002/pola.28064}, author = {Debnath, Sashi and Singh, Saumya and Bedi, Anjan and Krishnamoorthy, Kothandam and Zade, Sanjio S.} } @article { ISI:000372253200047, title = {Situ fabrication of highly crystalline CdS decorated Bi2S3 nanowires (nano-heterostructure) for visible light photocatalyst application}, journal = {RSC Advances}, volume = {6}, number = {28}, year = {2016}, month = {FEB}, pages = {23508-23517}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In situ synthesis of the orthorhombic Bi2S3 nanowires decorated with hexagonal CdS nanoparticles (nano-heterostructure) has been demonstrated by a facile solvothermal method. The tiny 5-7 nm CdS spherical nanoparticles are decorated on the surfaces of 30-40 nm Bi2S3 nanowires, successfully. Structural, morphological and optical studies clearly show the existence of CdS on the nanowires. A possible sequential deposition growth mechanism is proposed on the basis of experimental results to reveal the formation of the nano heterostructure. The heterostructures have been used as a photocatalyst for hydrogen production as well as degradation of methylene blue under solar light. The maximum hydrogen evolution i.e. 4560 and 2340 mu mol h(-1) 0.5 g was obtained from H2S splitting and glycerol degradation for Bi2S3 NWs decorated with CdS nanoparticles (nano-heterostructure) which is higher than that of the Bi2S3 NWs (3000 and 1170 mu mol h(-1) 0.5 g, respectively). The enhanced photocatalytical hydrogen evolution efficiency of the heterostructures is mainly attributed to its nanostructure. In the nano heterostructure, the CdS nanoparticles control the charge carrier transition, recombination, and separation, while the Bi2S3 nanowire serves as a support for the CdS nanoparticles. The photogenerated electron{\textquoteright}s migration is faster than the holes from the inside of a CdS nanoparticle to its surface or to the phase interface, resulting in a relatively higher hole density inside the CdS nanoparticle leaving electron density at surface of the Bi2S3 NWs. This influences the photocatalytic activity under solar light. Such nano-heterostructures may have potential in other photocatalytic reactions.

}, issn = {2046-2069}, doi = {10.1039/c6ra01488g}, author = {Panmand, Rajendra P. and Sethi, Yogesh A. and Deokar, Rajashree S. and Late, Dattatray J. and Gholap, Haribhau M. and Baeg, Jin-Ook and Kale, Bharat B.} } @article { ISI:000369211700025, title = {Small molecule activation by constrained phosphorus compounds: insights from theory}, journal = {Inorganic Chemistry}, volume = {55}, number = {2}, year = {2016}, month = {JAN}, pages = {558-565}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An exciting new development in main group chemistry has been the use of a constrained, flat, phosphorus-based complex to mediate in reactions such as the dehydrogenation of ammonia borane (AB), and the activation of the NH bond in primary amines. Its importance is based on the fact that it shows that main group compounds, when properly designed, can be as effective as transition metal complexes for doing significant chemical transformations. What the current computational study, employing density functional theory (DFT), reveals is that a common, general mechanism exists that accounts for the behavior of the flat phosphorus compound in the different reactions that have been experimentally reported to date. This mechanism, which involves the mediation by a base as a proton transfer agent, is simpler and energetically more favorable than the previous mechanisms that have been proposed for the same reactions in the literature. It is likely that the knowledge gained from the current work about the chemical behavior of this phosphorus compound can be utilized to design new constrained phosphorus-based compounds.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b01074}, author = {Pal, Amrita and Vanka, Kumar} } @article {43629, title = {SnS2 nanoflakes for efficient humidity and alcohol sensing at room temperature}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {OCT}, pages = {105421-105427}, abstract = {We report a one step facile hydrothermal synthesis of layered SnS2 nanoflakes. The as-synthesized nanosheets are characterized using X-ray diffraction, Raman spectroscopy and Transmission Electron Microscopy (TEM). The humidity sensing behavior of SnS2 nanoflake sensor device were investigated in the range of 11-97\% of relative humidity (RH) at room temperature. The response time of similar to 85 s and recovery time of similar to 6 s were observed for the SnS2 nanoflake based humidity sensor. A maximum sensitivity of 11.300\% is recorded. We also investigate the SnS2 nanoflake based alcohol sensing properties towards methanol, ethanol and iso-propyl alcohol. An exclusive selectivity towards methanol with a response of 1580 is shown as compared to other analytes. The response time of similar to 67 s and recovery time of just 5 s were observed for the SnS2 nanoflake based methanol sensor.}, doi = {10.1039/c6ra21252b}, author = {Bharatula, Lakshmi Deepika and Erande, Manisha B. and Mulla, Imtiaz S. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000365050700016, title = {Sol-gel synthesised WO3 nanoparticles supported on mesoporous silica for liquid phase nitration of aromatics}, journal = {Applied Catalysis B-Environmental}, volume = {182}, year = {2016}, month = {MAR}, pages = {142-152}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of WO3/SiO2 catalysts have been prepared by sol-gel method using ammonium metatungstate and ethyl silicate-40 (ES-40) as WO3 and SiO2 precursors respectively. The sol-gel method has led to the formation of WO3 nano-particles of 2-5 nm well dispersed on mesoporous silica along with some WO3{\textquoteright} agglomerates. Formation of monoclinic WO3 was seen on the catalysts above 5 wt\% WO3 loading by XRD analysis. Silica has shown very high surface area of 606 m(2)/g which decreased gradually upto 368 m(2)/g with 20 wt\% WO3 loading. 20 wt\% WO3/SiO2 catalyst has shown maximum acidity (0.56 mmol NH3/g) with presence of both Lewis and Bronsted acidity. UV-vis DRS analysis showed formation of polytungstate species along with WO3 on silica surface. The prepared catalysts were used for liquid phase nitration of aromatics using 70\% nitric acid as nitrating agent without using any sulfuric acid. Very high conversion (99\%) was obtained for p-cresol nitration with very high selectivity (99\%) for 2-nitro p-cresol. The water formed during the reaction was removed azeotropically using ethylene dichloride as solvent. In case of o-xylene 74\% conversion was obtained with 54\% selectivity for 4-nitro o-xylene. The effect of different WO3 precursors on nitration efficiency was studied using sodium tungstate and tungstic acid as precursors. However,ammonium metatungstate showed the highest acidity. Sodium tungstate showed formation of dimer of sodium tungstate which did not show any acidity and hence no activity for nitration. The mechanism for nitration using WO3/SiO2 has been proposed based on polarisation of water on tungsten centre generating Bronsted acidity which can further generate nitronium ion giving subsequently nitration of the aromatic ring. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Aromatic nitration, heterogeneous catalysis, Regioselective, Sol-gel synthesis, Water polarization}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2015.09.020}, author = {Kulal, A. B. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000370664300002, title = {Solid acid catalyzed synthesis of furans from carbohydrates}, journal = {Catalysis Reviews-Science and Engineering}, volume = {58}, number = {1}, year = {2016}, month = {JAN}, pages = {36-112}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

The alternative feedstock, biomass (particularly lignocelluloses), having the profuse availability, is promising for the synthesis of several value-added chemicals which are currently obtained from fossil feedstock. In this article, the synthesis of two extremely significant furan chemicals viz. furfural and 5-hydroxymethylfurfural (HMF) are discussed. In the synthesis of furans from biomass, numerous challenges, i.e., use of edible sugars as substrates, selectivity to furans, their isolation in pure form, reuse of catalyst, environmental issues, etc., are perceived and in the recent past researchers tried to resolve those by developing advance methodologies. This article comprehensively summarizes the latest progress made in the above-mentioned areas and also provides commentary on the analyses of results, rationale for observed activity and mechanisms, etc. It also discusses future aspects of this work.

}, keywords = {Biomass conversion, carbohydrates, cellulose, furans, furfural, hemicelluloses, HMF, solid acid catalyst}, issn = {0161-4940}, doi = {10.1080/01614940.2015.1099894}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article { ISI:000369515700086, title = {Solution chemistry-based nano-structuring of copper dendrites for efficient use in catalysis and superhydrophobic surfaces}, journal = {RSC Advances}, volume = {6}, number = {10}, year = {2016}, month = {JAN}, pages = {8416-8430}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Despite their performance and economic advantages over Ag and Au, there have been no focused research efforts on the nano-structuring of Cu dendrites with respect to fine-tuning their structure/morphology towards the efficiency enhancement of suitable applications. Reported here is a simple, versatile, environmentally-friendly and galvanic replacement reaction-based solution chemistry methodology to synthesize highly nano-structured copper dendrites targeted towards the efficiency enhancement of desired applications. Herein, copper is deposited galvanically on an Al foil in the presence of NaCl/HCl, wherein the chloride anions augment an uninterrupted replacement reaction. The growth process of Cu dendrites has been probed in detail. The presence of acid, the type of Cu2+ precursor salt, the Cu2+ ion concentration, the surfactant concentration and the reaction temperature are all demonstrated to provide useful means of modulating the surface structure/morphology of the dendrites. Notably, dendrites formed in the presence of acid are found to be highly nano-structured. Moreover, it is also found that the morphology/structure of the obtained Cu deposit depends considerably upon the choice of the Cu2+ precursor salt, a parameter that has been completely overlooked in the past. The acid-induced nano-structuring of the dendrites is exploited for enhancing their efficiency in the catalytic reduction of para-nitrophenol and for fabricating self-cleaning superhydrophobic surfaces. These nano-structured dendrites are demonstrated to have the highest ever normalized rate constant for the catalytic reduction reaction. Superhydrophobic surfaces fabricated using these dendrites demonstrate excellent self-cleaning abilities, showing a high contact angle (159 degrees) with low contact angle hysteresis (2 degrees). This facile synthetic strategy for the fabrication of highly nano-structured Cu dendrites is expected to open up avenues for the production of Cu-based low-cost functional nano/micro-materials.

}, issn = {2046-2069}, doi = {10.1039/c5ra22683j}, author = {Bakthavatsalam, Rangarajan and Ghosh, Subrata and Biswas, Ratul Kumar and Saxena, Aayushi and Raja, Alagar and Thotiyl, Musthafa Ottakam and Wadhai, Sandip and Banpurkar, Arun G. and Kundu, Janardan} } @article {42897, title = {Solution-phase synthesis of the macrocyclic core of teixobactin}, journal = {European Journal of Organic Chemistry}, volume = {25}, year = {2016}, month = {SEP}, pages = {4289-4293}, abstract = {

Towards the total chemical synthesis of the exceptionally potent antibiotic teixobactin, we synthesized the macrocyclic core of a natural product by using a solution-phase approach. The gramscale synthesis of L-allo-enduracididine and Shiina macrolactonization are highlights of the present disclosure.

}, author = {Dhara, Santu and Gunjal, Vidya B. and Handore, Kishor L. and Reddy, D. Srinivasa} } @article {43632, title = {Spatially branched CdS-Bi2S3 heteroarchitecture: single step hydrothermal synthesis approach with enhanced field emission performance and highly responsive broadband photodetection}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {SEP}, pages = {95092-95100}, abstract = {This report explores the controlled hierarchical synthesis of CdS nanostructure branches on Bi2S3 nanorod cores via a facile single step hydrothermal route. Morphological and structural studies reveal the formation of CdS-Bi2S3 heteroarchitecture with excellent stoichiometry between the constituent elements. The growth of CdS over Bi2S3 strongly depends on optimization of the reaction conditions, especially low PVP concentration. Furthermore, the as-synthesized CdS-Bi2S3 heteroarchitecture demonstrates multifunctionality in field emission and photoresponse. Interestingly, the CdS-Bi2S3 heteroarchitecture shows enhanced field emission properties such as low turn-on field (similar to 1.8 V mu m(-1) for 10 mu A cm(2)), high emission current density and better current stability in comparison to Bi2S3 and other nanostructures. The as-synthesized CdS-Bi2S3 heteroarchitecture exhibits considerable response and recovery times, similar to 207 ms and 315 ms, respectively in comparison to bare Bi2S3 nanostructures (similar to 655 ms and 678 ms). The present results demonstrate CdS-Bi2S3 heteroarchitecture as a potential candidate for future optoelectronic device applications.}, doi = {10.1039/c6ra21085f}, author = {Bankar, Prashant K. and Pawar, Mahendra S. and Pawbake, Amit S. and Warule, Sambhaji S. and Late, Dattatray J. and More, Mahendra A.} } @article { ISI:000375346500029, title = {Specific receptor for hydrazine: mapping the in situ release of hydrazine in live cells and in an in vitro enzymatic assay}, journal = {Chemical Communications}, volume = {52}, number = {36}, year = {2016}, month = {MAR}, pages = {6166-6169}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a new chemodosimetric reagent capable of detecting hydrazine in the presence of several other competing amine derivatives and ionic analytes of biological relevance. This reagent has been utilized for real time monitoring of in situ N2H4 release during the metabolism of a crucial tuberculosis drug, isoniazid, in live HepG2 cells. The fluorescence response of the reagent based on its specific reaction with N2H4 is used for developing an in vitro assay for aminoacylase-1.

}, issn = {1359-7345}, doi = {10.1039/c6cc01787h}, author = {Ali, Firoj and Anila, H. A. and Taye, Nandaraj and Mogare, Devraj G. and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000381182700004, title = {Spectacular rate enhancement of the diels-alder reaction at the ionic liquid/n-hexane interface}, journal = {Chemphyschem}, volume = {17}, number = {13}, year = {2016}, month = {JUL}, pages = {1969-1972}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

The use of the ionic liquid/n-hexane interface as a new class of reaction medium for the Diels-Alder reaction gives large rate enhancements of the order of 10(6) to 10(8) times and high stereoselectivity, as compared to homogeneous media. The rate enhancement is attributed to the H-bonding abilities and polarities of the ionic liquids, whereas the hydrophobicity of ionic liquids was considered to be the factor in controlling stereoselectivity.

}, keywords = {Diels-Alder reaction, Interfaces, ionic liquids, kinetics, stereoselectivity}, issn = {1439-4235}, doi = {10.1002/cphc.201600006}, author = {Beniwal, Vijay and Manna, Arpan and Kumar, Anil} } @article { ISI:000381593700007, title = {Spectroscopy and catalytic activity study of gold supported on barium titanate nanotubes for styrene epoxidation}, journal = {Applied Catalysis A-General}, volume = {523}, year = {2016}, month = {AUG}, pages = {61-72}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Gold (0.5-5 wt.\%) supported on barium titanate nanotubes (Au/BaTNT) were prepared, characterized and for the first time, investigated as catalysts for selective oxidation of styrene with oxygen (O-2 or H-2 + O-2) and peroxides (H2O2 or TBHP). Conversion of styrene enhanced when H-2 was co-added to O-2 in the reactions. Au/BaTNT activated O-2 and H-2 and produced H2O2 in situ for use in oxidations. Peroxides were found better oxidants than O-2. At optimized conditions, styrene oxide selectivity of 80.1 wt.\% at styrene conversion of 60.5 wt.\% was achieved over Au(1 wt.\%)/BaTNT using TBHP. Au particles (5.0-7.4 nm) were dispersed and decorated on the walls of BaTNT. They exhibited superior performance to the known Au catalysts in styrene oxidation. Reactive oxygen species formed during oxidation reactions were followed with in situ spectral characterizations (diffuse reflectance UV-vis and FT -Raman). Au/BaTNT was reusable in four recycles with little loss in catalytic activity. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Au Nanoparticles, reactive oxygen species, spectroscopy, Styrene Oxidation, Titanate nanotubes}, issn = {0926-860X}, doi = {10.1016/j.apcata.2016.05.014}, author = {Nepak, Devadutta and Srinivas, Darbha} } @article {43641, title = {State-of-the-art catechol porphyrin COF catalyst for chemical fixation of carbon dioxide via cyclic carbonates and oxazolidinones}, journal = {Catalysis Science \& Technology}, volume = {6}, year = {2016}, month = {MAY}, pages = {6152-6158}, abstract = {A highly porous, crystalline catechol porphyrin COF was synthesized and applied as an organocatalyst for the chemical fixation of carbon dioxide to synthesize value-added chemicals such as cyclic carbonates and oxazolidinones under solvent-free and transition-metal-free conditions. The high surface area and the functionalities of the COF catalyst act synergistically to activate the starting material. The 2,3-DhaTph shows excellent activity towards cyclic carbonates at the atmospheric pressure of carbon dioxide. Additionally, this catalytic system is recyclable in nature and provides a higher turnover number than previously reported organocatalysts.}, doi = {10.1039/c6cy00362a}, author = {Saptal, Vitthal and Shinde, Digambar Balaji and Banerjee, Rahul and Bhanage, Bhalchandra M.} } @article {43001, title = {Stereoselective quenching of cedryl carbocation in epicedrol biosynthesis}, journal = {Tetrahedron Letters}, volume = {57}, year = {2016}, month = {MAR}, pages = {1161-1164}, abstract = {

Epicedrol synthase catalyzes the cyclization of achiral diphosphate substrate, (E,E)-farnesyldiphosphate (FPP) into epicedrol. GC-MS analysis of assay extracts obtained by incubating FPP with epicedrol synthase in 21.6 at \% H2(18)O buffer showed the molecular ion of 224 for epicedrol. The labeled oxygen study presented here unambiguously demonstrates that the hydroxyl group of the epicedrol synthase enzymatic product, epicedrol, is derived from a water molecule, not from the phosphate moiety of the FPP. (C) 2016 Elsevier Ltd. All rights reserved.

}, doi = {10.1016/j.tetlet.2016.01.109}, author = {Shinde, Sandip S. and Navale, Govinda R. and Said, Madhukar S. and Thulasiram, Hirekodathakallu V.} } @article {43626, title = {Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, year = {2016}, month = {OCT}, pages = {10394-10406}, abstract = {Starting from (-)-acetoxyglutarimide, the enantioselective multistep synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine has been demonstrated via a common hydroxyl-lactam intermediate with very good overall yields. The acetoxy function from (-)-acetoxyglutarimide was initially used as a handle to induce enantioselectivity and then as a latent source of the ketone carbonyl group. Most importantly, substrate dependent reversal of the diastereoselectivity in ester aldol reactions of hexahydroindolo[2,3-a] quinolizinones has been reported.}, doi = {10.1039/c6ob01438k}, author = {Mondal, Pravat and N. P. Argade} } @article {45638, title = {Strategic Preparation of Efficient and Durable NiCo Alloy Supported N-Doped Porous Graphene as an Oxygen Evolution Electrocatalyst: A Theoretical and Experimental Investigation}, journal = {Advanced Materials Interfaces}, volume = {3}, year = {2016}, month = {OCT }, pages = {1600532}, type = {Article}, abstract = {

Development of an efficient and durable water splitting electrocatalyst holds a great commitment for the future energy devices. The real application of oxygen evolution reaction (OER) catalysts mainly suffers from sluggish kinetics and high overpotential except for the Ir and Ru-based systems. However, the high cost and vulnerability of the Ir and Ru metals are the main hostiles to use them for marketization. Herein, a high-performance OER electrocatalyst consisting of NiCo alloy nanoparticles supported on high surface area N-doped porous graphene (NiCo/pNGr(75: 25)) is reported. The importance of the doped-N for achieving the uniform dispersion-cum-effective interaction of the size controlled NiCo alloy nanoparticles has been explicitly investigated by transmission electron microscopy, X-ray diffraction, X-ray photo electron spectroscopy, Raman, density functional theory (DFT) calculations, etc. The electrochemical analysis of NiCo/pNGr(75: 25) shows an overpotential of approximate to 260 mV at 10 mA cm(-2) with a smaller Tafel slope of approximate to 87 mV dec(-1) and long catalytic durability. DFT calculations are done to check the interaction between the NiCo alloy nanoparticles and the defective sites of pNGr and also with the doped-N, which could be attained for maintaining long catalytic durability. Furthermore, NiCo/pNGr(75: 25) is used as an OER catalyst to fabricate an electrolyzer, which works at very low potential of 1.5 V in 1 M KOH.

}, issn = {2196-7350}, doi = {10.1002/admi.201600532}, author = {Singh, Santosh K. and Kumar, Deepak and Dhavale, Vishal M. and Pal, Sourav and Kurungot, Sreekumar} } @article { ISI:000370135100007, title = {Streptomyces lonarensis sp nov., isolated from lonar lake, a meteorite salt water lake in India}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {109}, number = {2}, year = {2016}, month = {FEB}, pages = {225-235}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A novel alkaliphilic actinomycete, strain NCL716(T), was isolated from a soil sample collected from the vicinity of Lonar Lake, an alkaline salt water meteorite lake in Buldhana district of Maharashtra State in India. The strain was characterised using a polyphasic taxonomic approach which confirmed that it belongs to the genus Streptomyces. Growth was observed over a pH range of 7-11 at 28 A degrees C. The cell wall was found to contain ll-diaminopimelic acid and traces of meso-diaminopimelic acid. The major fatty acid components were identified as iso-C-16:0 (46.8 \%), C-17:1 (12.4 \%), anteiso-C-15:0 (5.1 \%) and anteiso-C-17:1 (4.8 \%). The major polar lipids were identified as diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol and phosphatidylinositol. The major menaquinones were determined to be MK-9 (H-6) (70.3 \%), MK-9 (H-4) (15.5 \%) and MK-9 (H-8) (7.2 \%). The G+C content of the DNA of the type strain was determined to be 71.4 mol \%. The 16S rRNA gene sequence has been deposited in GenBank with accession number FJ919811. Although the 16S rRNA gene sequence analysis revealed that strain NCL716(T) shares \> 99 \% similarity with that of Streptomyces bohaiensis strain 11A07(T), DNA-DNA hybridization revealed only 33.2 +/- A 3.0 \% relatedness between them. Moreover, these two strains can be readily distinguished by some distinct phenotypic characteristics. Hence, on the basis of phenotypic and genetic analyses, it is proposed that strain NCL716(T) represents a novel species of the genus Streptomyces, for which the name Streptomyces lonarensis sp. nov., is proposed. The type strain is NCL 716(T) (=DSM 42084(T) = MTCC 11708(T) = KCTC 39684(T)).

}, keywords = {Alkaliphile, DDH analysis, Polyphasic taxonomy, Streptomyces lonarensis sp nov.}, issn = {0003-6072}, doi = {10.1007/s10482-015-0626-9}, author = {Sharma, Trupti K. and Mawlankar, Rahul R. and Sonalkar, Vidya V. and Shinde, Vidhya K. and Zhan, Jing and Li, Wen-Jun and Rele, Meenakshi V. and Dastager, Syed Gulam and Kumar, Lalitha Sunil} } @article { ISI:000368973000001, title = {Structural analysis of a penicillin V acylase from pectobacterium atrosepticum confirms the importance of two Trp residues for activity and specificity}, journal = {Journal of Structural Biology}, volume = {193}, number = {2}, year = {2016}, month = {FEB}, pages = {85-94}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Penicillin V acylases (PVA) catalyze the deacylation of the beta-lactam antibiotic phenoxymethylpenicillin (Pen V). They are members of the Ntn hydrolase family and possess an N-terminal cysteine as the main catalytic nucleophile residue. They form the evolutionarily related cholylglycine hydrolase (CGH) group which includes bile salt hydrolases (BSH) responsible for bile deconjugation. Even though a few PVA and BSH structures have been reported, no structure of a functional PVA from Gram-negative bacteria is available. Here, we report the crystal structure of a highly active PVA from Gram-negative Pectobacterium atrosepticum (PaPVA) at 2.5 angstrom resolution. Structural comparison with PVAs from Gram-positive bacteria revealed that PaPVA had a distinctive tetrameric structure and active site organization. In addition, mutagenesis of key active site residues and biochemical characterization of the resultant variants elucidated the role of these residues in substrate binding and catalysis. The importance of residue Trp23 and Trp87 side chains in binding and correct positioning of Pen V by PVAs was confirmed using mutagenesis and substrate docking with a 15 ns molecular dynamics simulation. These results establish the unique nature of Gram-negative CGHs and necessitate further research about their substrate spectrum. (C) 2015 Elsevier Inc. All rights reserved.

}, keywords = {Aromatic stacking, Cholylglycine hydrolase, molecular dynamics, Mutagenesis, Oligomeric interactions}, issn = {1047-8477}, doi = {10.1016/j.jsb.2015.12.008}, author = {Avinash, Vellore Sunder and Panigrahi, Priyabrata and Chand, Deepak and Pundle, Archana and Suresh, Cheravakattu Gopalan and Ramasamy, Sureshkumar} } @article { ISI:000369515700061, title = {Structural and conformational properties of polybenzimidazoles in melt and phosphoric acid solution: a polyelectrolyte membrane for fuel cells}, journal = {RSC Advances}, volume = {6}, number = {10}, year = {2016}, month = {DEC}, pages = {8211-8221}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Poly[2,2{\textquoteright}-(p-phenylene)-5,5{\textquoteright}-bibenzimidazole (PBI) and poly(2,5-benzimidazole) (ABPBI) doped with phosphoric acid (PA) are considered as potential polymer electrolyte membranes for high temperature fuel cells. Conformational and structural properties of polymer chains in the presence of PA govern the function of the membrane. Therefore, in this work, a single chain conformational analysis of ABPBI and PBI in melt as well as in PA was performed using classical molecular dynamics simulations. End-to-end distance and the radius of gyration reveal significant changes in the conformations of PBI and ABPBI in PA. The structural changes are analyzed locally segment-wise as well as globally in these polymers. The shape and nature of the curvature along the chain is found to be significantly different for ABPBI and PBI. The role of the solvent (PA) on the chain backbone structure is explored for PA doped ABPBI and PBI chains. The PA arrangement along the backbone confirms that benzimidazole density in the case of both of the polymers determines the PA absorbing capacity. The H-bonding interactions between various atoms of the polymer backbone and the atoms of the PA molecules are evaluated along the polymer chain which relates to the arrangement of PA along the backbone. The reasons for the varying number of H-bonds along ABPBI and PBI which in turn has a significant effect on the stiffness of the chains are investigated.

}, issn = {2046-2069}, doi = {10.1039/c5ra22159e}, author = {Pahari, Swagata and Roy, Sudip} } @article { ISI:000375723900014, title = {Structural insight into self assembly of sophorolipids: a molecular dynamics simulation study}, journal = {Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry \& Chemical Physics}, volume = {230}, number = {5-7, SI}, year = {2016}, month = {MAY}, pages = {819-836}, publisher = {WALTER DE GRUYTER GMBH}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {

Sophorolipids contain hydrophilic head groups at the ends of a long hydrophobic tail. As a result, sophorolipids can self assemble into variety of structures in water. Atomistic self assembly simulations of sophorolipids are performed in water. Two sophorolipids, oleic acid sophorolipid and linolenic acid sophorolipid, differing in number of double bonds in the hydrophobic tail are considered for this study. Long time self assembly simulations are performed considering 1 :3 lipid to water ratio by weight for both oleic and linolenic acid sophorolipids. In addition to 1 : 3 ratio, long time self assembly simulations are also performed with 1 : 1 and 1 : 2 ratios for linolenic acid sophorolipids. Distinctions in structural arrangements of sophorolipid molecules in the self assembled configuration for all the systems are investigated. The present study aims to provide structural insight into the different self assembled configurations of sophorolipids in water.

}, keywords = {MD Simulation, self assembly, sophorolipids, United Atom Force Field}, issn = {0942-9352}, doi = {10.1515/zpch-2015-0719}, author = {Pandey, Prithvi Raj and Dhasaiyan, Prabhu and Bhagavatula L. V. Prasad and Roy, Sudip} } @article { ISI:000373935600005, title = {Structural insight of NICD-MAML interactions: virtual screening, docking and molecular dynamics study for the identification of potential inhibitor}, journal = {Letters in Drug Design \& Discovery}, volume = {13}, number = {4}, year = {2016}, month = {JAN}, pages = {301-313}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Activation of Notch signalling pathway is triggered by binding of NICD to transcription factor CSL and transcriptional co-activator MAML, which involves in various biological functions as well as progression of diseases. Recent prediction shows suppression of cancer causing genes of this pathway through inhibition of NICD-MAML interaction. Through virtual screening against {\textquoteleft}{\textquoteleft}NCI Diversity 3{\textquoteright}{\textquoteright} of Zinc database, we identified a potential inhibitor {\textquoteleft}{\textquoteleft}ZINC01690699{\textquoteright}{\textquoteright} (1-N,4-N-bis[3-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide; 1-N, 4-dicarboxamide) possessing highest binding affinity to block the two distinct Binding Sites of NICD to inhibit NICD-MAML interaction and also found the most imperative and essential Binding Site (Site I). Inhibition of this interaction caused by binding of ZINC01690699 is validated by protein-protein docking and the prolonged binding as well as stability of NICD-Inhibitor complex is supported by molecular dynamics simulation. The study not only identifies the best inhibitor but also proposes a potential drug for the treatment of cancers.

}, keywords = {free energy of binding, MAML, NICD, Notch signalling, potential inhibitor, ZINC01690699}, issn = {1570-1808}, doi = {10.2174/1570180812666150819003634}, author = {Sinha, Noopur and Chowdhury, Saikat and Sarkar, Ram Rup} } @article { ISI:000374037600002, title = {Structural insights and functional implications of inter-individual variability in beta(2)-adrenergic receptor}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {APR}, pages = {24379}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

The human beta(2)-adrenergic receptor (beta(2)AR) belongs to the G protein-coupled receptor (GPCR) family and due to its central role in bronchodilation, is an important drug target. The inter-individual variability in beta(2)AR has been implicated in disease susceptibility and differential drug response. In this work, we identified nine potentially deleterious non-synonymous single nucleotide polymorphisms (nsSNPs) using a consensus approach. The deleterious nsSNPs were found to cluster near the ligand binding site and towards the G-protein binding site. To assess their molecular level effects, we built structural models of these receptors and performed atomistic molecular dynamics simulations. Most notably, in the Phe290Ser variant we observed the rotameric flip of Trp286(6.48), a putative activation switch that has not been reported in beta(2)AR thus far. In contrast, the variant Met82Lys was found to be the most detrimental to epinephrine binding. Additionally, a few of the nsSNPs were seen to cause perturbations to the lipid bilayer, while a few lead to differences at the G-protein coupling site. We are thus able to classify the variants as ranging from activating to damaging, prioritising them for experimental studies.

}, issn = {2045-2322}, doi = {10.1038/srep24379}, author = {Tandale, Aditi and Joshi, Manali and Sengupta, Durba} } @article {45643, title = {Structural-functional insights and studies on saccharide binding of Sophora japonica seed lectin}, journal = {International Journal of Biological Macromolecules}, volume = {91}, year = {2016}, month = {OCT}, pages = {75-84}, type = {Article}, abstract = {

Functional and conformational transitions of the Sophora japonica seed lectin (SJL) were studied in detail using bioinformatics and biophysical tools. Homology model of the lectin displayed all the characteristics of the legume lectin monomer and the experimental observations correlated well with the structural information. In silico studies were performed by protein-ligand docking, calculating the respective binding energies and the residues involved in the interactions were derived from LigPlot(+) analysis. Fluorescence titrations showed three times higher affinity of T-antigen disaccharide than N-acetyl galactosamine (GaINAc) towards SJL indicating extended sugar binding site of the lectin. Thermodynamic parameters of T-antigen binding to SJL indicated the process to be endothermic and entropically driven while those of GaINAc showed biphasic process. SDS-PAGE showed post-translationally modified homotetrameric species of the lectin under native conditions. In presence of guanidine hydrochloride (0.5-5.0 M), the tetramer first dissociated into dimers followed by unfolding of the protein as indicated by size exclusion chromatography, fluorescence and CD spectroscopy. Different structural rearrangements were observed during thermal denaturation of SJL at physiological pH 7.2, native pH 8.5 and molten globule inducing pH 1.0. Topological information revealed by solute quenching studies at respective pH indicated differential hydrophobic environment and charge density around tryptophan residues. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Dissociation, docking, Homology model, Ligand binding, Sophora japonica seed lectin, Thermal transitions}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2016.05.047}, author = {Yadav, Priya and Shahane, Ganesh and Ramasamy, Sureshkumar and Sengupta, Durba and Gaikwad, Sushama} } @article { ISI:000381165300025, title = {Studies of synergy between metal-support interfaces and selective hydrogenation of HMF to DMF in water}, journal = {Journal of Catalysis}, volume = {340}, year = {2016}, month = {AUG}, pages = {248-260}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Metal-support interfaces play a very important role in heterogeneous catalysis. The interfacial interactions not only are responsible for stabilizing the necessary oxidation state to facilitate the reaction but also enhance the stability of the catalyst system. Nano dispersion of Ni on mesoporous nitrogen-rich carbon material has been achieved using two different synthesis methods. It was observed that nickel (0) gets stabilized by strong interfacial interaction with the nitrogen atoms of the support material, and the material was found to be very economic and efficient for the conversion of HMF to DMF in aqueous medium. The material shows \>= 99\% conversion to 5-(hydroxymethyl) furfural (HMF) within 6 h of reaction with 98.7\% DMF selectivity. A unique correlation between synthesis methods and particle sizes with catalytic performance has been observed for these newly developed materials. Furthermore, a DFT calculation has been performed to predict the reaction mechanism. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {biofuels, Biomass, Hydrogenation, mesoporous carbon, Ni-CNx}, issn = {0021-9517}, doi = {10.1016/j.jcat.2016.05.012}, author = {Goyal, Reena and Sarkar, Bipul and Bag, Arijit and Siddiqui, Nazia and Dumbre, Deepa K. and Lucas, Nishita and Bhargava, Suresh Kumar and Bordoloi, Ankur} } @article { ISI:000380167200011, title = {Studies on the static and dynamic properties of different types of polyester industrial yarns}, journal = {Journal of the Textile Institute}, volume = {107}, number = {9}, year = {2016}, month = {OCT}, pages = {1175-1184}, publisher = {TAYLOR \& FRANCIS LTD}, address = {2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND}, abstract = {

Four major types of polyester industrial yarns, viz. high tenacity (HT), high modulus low shrinkage (HMLS), low shrinkage (LS) and super low shrinkage (SLS) polyester yarns, were studied for their static and dynamic properties. An attempt has been made to establish a linkage between static and dynamic properties of these yarns with its structure and with its end applications. HMLS and HT polyester yarns have lower tan delta and work loss, which are the desired characteristics required for its end applications which include tire and conveyer belt. Higher overall orientation and higher fraction of tie molecules helped to achieve these properties in HT and HMLS polyester yarns. LS and SLS polyester yarns are mostly used for static applications. Low thermal shrinkage is the key requirement for the downstream processes of these yarns. Lower amorphous orientation in these two yarns is primarily responsible for achieving very low thermal shrinkage. A good co-relation has been established between the peak temperature of work loss (in slow speed hysteresis test) and the peak temperature of tan delta (in high-speed dynamic test).

}, keywords = {creep, modulus, polyester, shrinkage, tan delta, work loss}, issn = {0040-5000}, doi = {10.1080/00405000.2015.1097087}, author = {Samui, Barun Kumar and Dasgupta, Saikat and Mukhopadhyay, R. and Ramesh, C. and Chakrabarty, Debabrata} } @article {43643, title = {Study of magnetic and thermal properties of SmCrO3 polycrystallites}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {AUG}, pages = {82014-82023}, abstract = {In the present work, we have studied the magnetic and thermal properties of sol gel derived samarium chromite (SCO) polycrystallites. The magnetic measurements of SCO polycrystallites show a characteristic antiferromagnetic transition T-N similar to 190 K and spin reorientation temperature T-SR similar to 33 K, which is in the region of interest to study a possible magnetocaloric effect (MCE). The isothermal magnetic entropy change (Delta S-M) is estimated by an indirect method from the isothermal magnetization curves measured in this temperature range. The SCO polycrystallites possesses both inverse (positive) and normal (negative) MCE at and above around the spin reorientation transition (TSR) with Delta S-M(max) M values of similar to -24 x 10(-2) \& 13 x 10(-2) J kg(-1) K-1, respectively. The SCO also shows another normal (negative) MCE peak around its Neel transition (T-N) with -Delta S-M(max) M similar to 11 x 10(-2) J kg(-1) K-1. The presence of two successive MCE peaks in SCO in the temperature range of 3-50 K, leads to an similar to 47 K operating temperature window with one thermodynamic cycle. In addition, the low temperature heat capacity (C-P) measurements of SCO polycrystallites reveal a lambda-shaped peak at T-N which is associated with a conventional second- order, paramagnetic to antiferromagnetic (AFM), phase transition. The temperature and magnetic field dependence of the specific heat capacity was studied and analyzed to estimate the adiabatic temperature change (Delta T-ad). In addition the C-P vs. T curve in SCO also shows a weak anomaly around the similar to T-SR along with a Schottky anomaly below 10 K.}, doi = {10.1039/c6ra17203b}, author = {Gupta, Preeti and Poddar, Pankaj} } @article { ISI:000375255500006, title = {Study of magnetic entropy and heat capacity in ferrimagnetic Fe3Se4 nanorods}, journal = {Journal Of Physics D-Applied Physics}, volume = {49}, number = {19}, year = {2016}, month = {MAY}, pages = {195003}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Change in the magnetic entropy and specific heat capacity in Fe3Se4 nanorods synthesized by a wet-chemical method in a broad temperature (215-340 K) and magnetic field range (0-60 k Oe) was studied. The isothermal magnetic entropy change (Delta S-M) is estimated by an indirect method from the isothermal magnetization curves measured in this temperature range. S-M(max) of -46 x 10(-2) J kg(-1).K-1 was obtained at similar to 317 K when the field was changed from 0 to 60 kOe. The maximum in the isothermal magnetic entropy change (Delta S-M) is observed in close proximity to TC (similar to 323 K), which is linked to the order-disorder transition. The nature of this transition was analyzed by universal curve behavior. The temperature and magnetic field dependence of specific heat capacity was studied and analyzed to estimate the adiabatic temperature change (Delta T-ad). The magnetic entropy change of Fe3Se4 nanoparticles is found to be comparable with similar ferrite and manganite nanoparticle systems and a broad operating temperature window of similar to 30 K was observed around room temperature.

}, keywords = {heat capacity, iron selenide, Magnetic anisotropy, magnetic entropy, order-disorder phase transition}, issn = {0022-3727}, doi = {10.1088/0022-3727/49/19/195003}, author = {Sen Bishwas, Mousumi and Poddar, Pankaj} } @article {42429, title = {Substrate-controlled selectivity switch in the three-component coupling involving arynes, aromatic tertiary amines, and CO2}, journal = {Organic Letters}, volume = {18}, year = {2016}, month = {OCT}, pages = {5424{\textendash}5427}, abstract = {

The transition-metal-free multicomponent coupling involving arynes, aromatic tertiary amines, and CO2\ is reported. The reaction exhibits switchable selectivity depending on the electronic nature of the aromatic amines used. With amines bearing electron-releasing/neutral groups as the nucleophilic trigger, the reaction afforded 2-arylamino benzoates via a nitrogen to oxygen alkyl group migration. Employing electron-deficient amines in the reaction furnished 2-aminoaryl benzoates proceeding via the aryl to aryl amino group migration resembling a Smiles rearrangement.

}, doi = {10.1021/acs.orglett.6b02845}, author = {Bhojgude, Sachin Suresh and Roy, Tony and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000373019700004, title = {Sulfonated graphene oxide as highly efficient catalyst for glycosylation}, journal = {Journal of Carbohydrate Chemistry}, volume = {35}, number = {1}, year = {2016}, month = {JAN}, pages = {57-68}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

Heterogeneous sulfonated graphene oxide for the first time has been used as a green and efficient catalyst for atom-economic glycosylation of unprotected, unactivated glycosyl donors or 2,3,4,6-tetra-O-acetylglycosyltrichloroacetimidate with various acceptors basically in the absence of solvent. The unprotected, unactivated glycosyl donors afforded mixtures of alpha- and beta-glycosides, while the 2,3,4,6-tetra-O-acetylglycosyltrichloroacetimidate afforded beta-glycosylated products with high yields and selectivity. The main advantages of this methodology are easy catalyst preparation, no need for dry reagents and reaction conditions, easy catalyst separation and recycling, and high product yields.

}, keywords = {glycol donor, glycosyl acceptor, glycosylation, reusability, Sulfonated graphene oxide}, issn = {0732-8303}, doi = {10.1080/07328303.2015.1120874}, author = {Thombal, Raju S. and Jadhav, Vrushali H.} } @article { ISI:000369537900099, title = {Sunlight assisted degradation of dye molecules and reduction of toxic Cr(VI) in aqueous medium using magnetically recoverable Fe3O4/reduced graphene oxide nanocomposite}, journal = {RSC Advances}, volume = {6}, number = {13}, year = {2016}, month = {JAN}, pages = {11049-11063}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In view of the significant impact of magnetically recoverable catalysts in photocatalytic applications, Fe3O4/reduced graphene oxide (rGO) nanocomposite photocatalyst was synthesized by adopting an eco-friendly solution chemistry approach and has been characterized by high resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and photoluminescence (PL) spectroscopy. Fe3O4/rGO nanocomposite is efficiently utilized towards photocatalytic degradation of carcinogenic and mutagenic cationic as well as anionic dye molecules namely methyl green (MG), methyl blue (MB) and rhodamine B (RhB) under direct sunlight irradiation. The Fe3O4/rGO nanocomposite also demonstrated excellent photocatalytic reduction of aqueous Cr(VI) solution to nontoxic aqueous Cr(III) solution of more than 96\% within 25 min under sunlight irradiation. Moreover, reusability of the magnetically recovered photocatalyst was studied efficiently up to 10 cycles in the degradation process. The catalyst was also characterized after the degradation of the dye molecule and the particle size of the Fe3O4 nanoparticles on the rGO sheets remained unchanged. The present investigation focuses on the importance of the use of Fe3O4/rGO nanocomposite towards photocatalytic degradation of waste water containing organic dye pollutants and toxic Cr(VI), as an easily recoverable and reusable photocatalyst with potential for many environmental remediation applications.

}, issn = {2046-2069}, doi = {10.1039/c5ra25035h}, author = {Boruah, Purna K. and Borthakur, Priyakshree and Darabdhara, Gitashree and Kamaja, Chaitanya Krishna and Karbhal, Indrapal and Shelke, Manjusha V. and Phukan, Pallabi and Saikia, Dulen and Das, Manash R.} } @article { ISI:000375810400037, title = {Supramolecular metallogel that imparts self-healing properties to other gel networks}, journal = {Chemistry of Materials}, volume = {28}, number = {9}, year = {2016}, month = {MAY}, pages = {3210-3217}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A unique proton conductive and moldable supramolecular metallogel (CuA-Ox-gel) made upon mixing at room temperature well-defined stock solutions of Cu(OAc)(2). H2O and oxalic acid dehydrate was found to have self-healing properties. Remarkably, the system also displayed an unprecedented ability to impart self-healing properties to other gel networks lacking this capacity. A self-healed CuA-Ox metallogel was found to have essentially the same nanofibrillar morphology, thermal stability, rheological properties, and conductivity as the freshly prepared sample. The discovery also allowed the fabrication of self-healing conductive composites containing conductive carbonaceous materials. Overall, this work serves as a proof of concept for the transfer of self-healing properties between completely different gel networks.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.6b01144}, author = {Feldner, Tobias and Haering, Marleen and Saha, Subhadeep and Esquena, Jordi and Banerjee, Rahul and Diaz, David Diaz} } @article {43404, title = {Surface chemical bonds, surface-enhanced Raman scattering, and dielectric constant of SiO2 nanospheres in-situ decorated with Ag-nanoparticles by electron-irradiation}, journal = {Journal of Applied Physics}, volume = {120}, year = {2016}, month = {DEC}, pages = {Article Number: 234901}, abstract = {Nanostructures of dielectric materials decorated with metal nanoparticles are of great scientific interest; however, the involved synthesis methods are complicated and require multistep chemical processing, including functionalization of the dielectric surfaces. In the present work, without chemical processes, silver nanoparticles of average sizes in the range of 11 to 15 nm were in-situ synthesized and decorated on SiO2 nanospheres in a single step process by irradiating a solution (AgNO3-polyvinylpyrrolidone (PVP)-SiO2 nanospheres) with 6 MeV electrons at 1.5 x 10(15) e(-)/cm(2), 3.0 x 10(15) e(-)/cm(2), and 4.5 x 10(15) e(-)/cm(2) fluences. The electron irradiated solutions were characterized with different surface and other techniques. The results revealed that the SiO2 nanospheres were uniformly decorated with Ag nanoparticles, and the prominent chemical bonds involved were Ag-O, Si-O-Ag, and Si-Ag. Moreover, the sizes and the decoration density of Ag nanoparticles could be tailored by varying electron fluence. The Surface-enhanced Raman scattering (SERS) of 4-aminothiophenol (4-ATP) solutions was studied using substrates in the form of thin coatings of the solutions of Ag-decorated SiO2 nanospheres. The appearance of the characteristic SERS peaks of both 4-ATP and 4, 4{\textquoteright}-dimercaptoazobenzene (4, 4{\textquoteright}-DMAB) in Raman spectra confirmed the conversion of a fraction of 4-ATP into 4, 4{\textquoteright}-DMAB in the presence of Ag nanoparticles. Composites in the form of thin films were synthesized from the mixture solutions of PVP and Ag-decorated SiO2 nanospheres. The dielectric constant of each thin film was higher as compared to polymers, and could be tailored by varying electron fluence used for decorating Ag nanoparticles. Published by AIP Publishing.}, doi = {10.1063/1.4971866}, author = {Phatangare, A. B. and Dhole, S. D. and Dahiwale, S. S. and Mathe, V. L. and Bhoraskar, S. V. and Late, Dattatray J. and Bhoraskar, V. N.} } @article { ISI:000375270600080, title = {Surface modification of aligned CdO nanosheets and their enhanced field emission properties}, journal = {RSC Advances}, volume = {6}, number = {47}, year = {2016}, month = {APR}, pages = {41261-41267}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Porous aligned CdO nanosheets were grown on a cadmium (Cd) substrate by the simple and cost effective method of thermal annealing. Further, decoration of gold (Au) nanoparticles on the porous aligned CdO nanosheets (specimen A) was achieved by coating with a Au thin film and subsequent annealing treatment. The average diameters of decorated Au nanoparticles were found to be 15 nm, 21 nm and 28 nm for the Au thin films with 20 s, 40 s and 60 s (specimens B, C, and D) coating times. Detailed characterizations, such as structural and morphological analysis of porous CdO nanosheets and Au/CdO nanocomposite (Au decorated porous CdO nanosheets), have been carried out using a Field Emission Scanning Electron Microscope (FESEM), X-ray diffraction (XRD) and a Transmission Electron Microscope (TEM). Field emission studies of specimens A, B, C and D were carried out in the planar diode configuration. Turn-on fields of 1.9 V mu m(-1), 1.1 V mu m(-1), 2.4 V mu m(-1) and 2.8 V mu m(-1) have been found for the emission current density of 10 RA cm(-2) for specimens A, B, C and D, respectively. The observed low turn -on field of specimen B (Au diameter of 15 nm) was found to be superior to other semiconducting nanostructures reported in the literature. The field emission current stability over a period of 3 h at the preset current density of 1 RA cm(-2) is found to be excellent for all specimens. To the best of our knowledge, field emission studies along with surface modification of porous aligned CdO nanosheets have not been reported in the literature. The simple synthesis route, facile surface modification and the superior field emission results make the present emitter very suitable for micro/nano electronic devices.

}, issn = {2046-2069}, doi = {10.1039/c5ra28000a}, author = {Bagal, Vivekanand S. and Patil, Girish P. and Deore, Amol B. and Suryawanshi, Sachin R. and Late, Dattatray J. and More, Mahendra A. and Chavan, Padmakar G.} } @article { ISI:000372766400005, title = {Surface tailored PS/TiO2 composite nanofiber membrane for copper removal from water}, journal = {Journal of Colloid and Interface Science}, volume = {469}, year = {2016}, month = {MAY}, pages = {31-37}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Polystyrene (PS)/TiO2 composite nanofiber membranes have been fabricated by electrospinning process for Cu2+ ions removal from water. The surface properties of the polystyrene nanofibers were modulated by introducing TiO2 nanoparticles. The contact angle of the PS nanofiber membrane was found to be decreased with increasing concentration of TiO2, depicted enhanced hydrophilicity. These membranes were highly effective in adsorbing Cu2+ ions from water. The adsorption capacity of these membranes was found to be 522 mg/g, which is significantly higher than the results reported by other researchers. This was attributed to enhanced hydrophilicity of the PS/TiO2 composite nanofiber membranes and effective adsorption property of TiO2 nanoparticles. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {electrospinning, Metal ion adsorption, Nanofiber, TiO2, Water treatment/purification}, issn = {0021-9797}, doi = {10.1016/j.jcis.2016.01.054}, author = {Wanjale, Santosh and Birajdar, Mallinath S. and Jog, Jyoti Prakash and Neppalli, Ramesh and Causin, Valerio and Karger-Kocsis, Jozsef and Lee, Jonghwi and Panzade, Prasad} } @article {43058, title = {Sustainable catalytic process for synthesis of triethyl citrate plasticizer over phosphonated USY zeolite}, journal = {Bulletin of Chemical Reaction Engineering and Catalysis}, volume = {11}, year = {2016}, month = {OCT}, pages = {292-298}, abstract = {

Fruits wastage is harmful to health and environment concerning spreading diseases and soil pollution, respectively. To avoid this issue, use of citrus fruit waste for the production of citric acid (CA) is one of viable mean to obtain value added chemicals. Moreover, synthesis of triethyl citrate (TEC), a non-toxic plasticizer by esterification of CA with ethanol over heterogeneous catalyst would be renewable and sustainable catalytic process. In this context, parent Ultrastable Y (USY) and different percentage phosphonated USY (P-USY) zeolites were used for the synthesis of TEC in a closed batch reactor, for the first time. The synthesized catalysts were characterized by N2-adsorption desorption isotherm, powder X-ray diffraction (XRD) and NH3 temperature programmed desorption (TPD. Effect of reaction conditions, such as the molar ratio of ethanol to CA (5:1 - 20:1), the catalyst to CA ratio (0.05-0.25) and reaction temperature (363-403 K), were studied in view to maximizing CA conversion and TEC yield. Phosphonated USY catalysts were found to be superior in activity (CA conversion and TEC yield) than parent USY, which is attributed to the increased in total acidity with phosphonation. Among the studied catalysts, the P2USY (2\% phosphorous loaded on USY) was found to be an optimum catalyst with 99\% CA conversion and 82\% TEC yield, which is higher than the reported values. This study opens new avenues of research demonstrating principles of green chemistry such as easy separable and reusable catalyst, non-toxic product, bio-renewable synthetic route, milder operating parameters and waste minimization.

}, doi = {10.9767/bcrec.11.3.569.292-298}, author = {Nandiwaleand, Kakasaheb Y. and Bokade, Vijay V.} } @article {42694, title = {Sustainable Iron-catalyzed direct imine formation by acceptorless dehydrogenative coupling of alcohols with amines}, journal = {Green Chemistry}, volume = {18}, year = {2016}, month = {MAY}, pages = {3232-3238}, abstract = {

The Acceptorless Dehydrogenative Coupling (ADC) of alcohols with amines is reported using a heterogeneous Fe-catalyst. The reaction operates under mild conditions with the liberation of dihydrogen and water as the byproducts. The developed ADC strategy is simple, efficient, exhibits wide functional group tolerance and can be scaled up. The present catalytic approach possesses a dual role; acting as a catalyst as well as being magnetically separable. The sustainable reuse of a heterogeneous iron catalyst is also shown.

}, doi = {10.1039/C6GC00565A}, author = {Jaiswal, Garima and Landge, Vinod Gokulkrishna and Jagadeesan, Dinesh and Balaraman, Ekambaram} } @article {43426, title = {Switch-on NIR probe for specific detection of Hg2+ ion in aqueous medium and in mitochondria}, journal = {Inorganic Chemistry}, volume = {55}, year = {2016}, month = {NOV}, pages = {12052-12060}, abstract = {A new 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY)-based probe molecule (L) is synthesized for specific binding to Hg2+ ion in physiological condition with an associated luminescence ON response in the near-IR region of the spectrum. Appropriate functionalization in the 5-position of each of two pyrrole moieties with styryl functionality in a BODIPY core helped us in achieving the extended conjugation and a facile intramolecular charge transfer transition with a narrow energy gap for frontier orbitals. This accounted for a poor emission quantum yield for the probe molecule L. Binding to. Hg2+ helped in interrupting the facile intramolecular charge transfer (ICT) process that was initially operational for L. This resulted in a hypsochromic shift of absorption band and a turn-on luminescence response with lambda(Em)(max) of 650 nm on specific binding to Hg2+. Observed spectral changes are rationalized based on quantum chemical calculations. Interestingly, this reagent is found to be localized preferentially in the mitochondria of the live human colon cancer (Hct116) cells. Mitochondria is one of the major targets for localization of He2+, which actually decreases the mitochondrial membrane potential and modifies various proteins having sulfudryl functionality(ies) to cause cell apoptosis. Considering these, ability of the present reagent to specifically recognize Hg2+] in the mitochondrial region of the live Hct116 cells has significance.}, doi = {10.1021/acs.inorgchem.6b02233}, author = {Agarwalla, Hrideshg and Mahajan, Pankaj S. and Sahu, Debashis and Taye, Nandaraj and Ganguly, Bishwajit and Mhaske, Santosh B. and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000380574100052, title = {Synthesis and antitubercular activity of new 1,3,4-oxadiazoles bearing pyridyl and thiazolyl scaffolds}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {15}, year = {2016}, month = {AUG}, pages = {3646-3651}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In search of more potent and safe new antitubercular agents, here new 2-pyridinyl substituted thiazolyl-5-aryl-1,3,4-oxadiazoles (6a-o), have been designed and synthesized using thionicotinamide as a starting, following novel multistep synthetic route. An intermediate, pyridinyl substituted thiazolyl acid hydrazide (4) when condensed with benzoic acids/nicotinic acids (5a-o) in the presence of silica supported POCl3 yielded better to excellent yields of the title compounds. All the synthesized compounds (6a-o) and intermediate acid hydrazide (4) have been screened for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG. Amongst them, 6f, 6j, 6l and 6o have revealed promising activity against M. bovis BCG at concentrations less than 3 mu g/mL. These compounds have shown low cytotoxicity (CC50: \> 100 mu g/mL) towards four human cancer cell lines. Molecular docking study has also been performed against mycobacterial enoyl reductase (InhA) enzyme to gain an insight into the binding modes of these molecules and recorded good binding affinity. The ADME properties the title products have also been analyzed. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {1, 3, 4-Oxadiazole, Antitubercular activity, Cytotoxicity, Molecular docking, Pyridine, Thiazole}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.05.093}, author = {Dhumal, Sambhaji T. and Deshmukh, Amarsinh R. and Bhosle, Manisha R. and Khedkar, Vijay M. and Nawale, Laxman U. and Sarkar, Dhiman and Mane, Ramrao A.} } @article { ISI:000381452800005, title = {Synthesis and antitubercular activity of new benzo[b]thiophenes}, journal = {ACS Medicinal Chemistry Letters}, volume = {7}, number = {8}, year = {2016}, month = {AUG}, pages = {751-756}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In vitro and ex vivo efficacies of four series of benzo[b]thiophene-2-carboxylic acid derivatives were studied against Mycobacterium tuberculosis H37Ra (MTB). Benzo[b]thiophenes were also tested in vitro against multidrug resistant Mycobacterium tuberculosis H37Ra (MDR-MTB), and 7b was found to be highly active against A- and DMDR-MTB/MTB (MIC ranges 2.73-22.86 mu g/mL). The activity of all benzo[b]-thiophenes against M. bovis BCG (BCG) was also assessed grown under aerobic and under conditions of oxygen depletion. Compounds 8c and 8g showed significant activity with MICs of 0.60 and 0.61 mu g/mL against dormant BCG. The low cytotoxicity and high selectivity index data against human cancer cell lines, HeLa, Panc-1, and THP-1 indicate the potential importance of the development of benzo[b]thiophene-based 1,3-diketones and flavones as lead candidates to treat mycobacterial infections. Molecular docking studies into the active site of DprE1 (Decaprenylphosphoryl-beta-n-ribose-2{\textquoteright}-epimerase) enzyme revealed a similar binding mode to native ligand in the crystal structure thereby helping to understand the ligand protein interactions and establish a structural basis for inhibition of MTB. In summary, its good activity in in vitro and ex vivo model, as well as its activity against multidrug-resistant M. tuberculosis H37Ra in a potentially latent state, makes 7b an attractive drug candidate for the therapy of tuberculosis.

}, keywords = {Benzo[b]thiophene, Cytotoxicity, M. Bovis BCG, MDR-MTB, Molecular docking}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.6b00077}, author = {Mahajan, Pravin S. and Nikam, Mukesh D. and Nawale, Laxman U. and Khedkar, Vijay M. and Sarkar, Dhiman and Gill, Charansingh H.} } @article { ISI:000367329700060, title = {Synthesis and bioactivity of novel triazole incorporated benzothiazinone derivatives as antitubercular and antioxidant agent}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {2}, year = {2016}, month = {JAN}, pages = {561-569}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In search of new active molecules against Mycobacterium tuberculosis (MTB) H37Ra and M. bovis BCG, a small focused library of benzothiazinone based 1,2,3-triazoles has been efficiently prepared via click chemistry approach. Several derivatives were found to be promising inhibitors of MTB and M. bovis BCG characterized by lower MIC values (27.34-29.37 mu g/mL). Among all the synthesized compounds, 6c and 6e is the most active compound against MTB and M. bovis BCG. The compounds were further tested for anti-proliferative activity against HeLa, A549 and A431 cell lines using MTT assay and showed no significant cytotoxic activity at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antioxidant activity with IC50 range = 14.14-47.11 mu g/mL. Furthermore, to rationalize the observed biological activity data, the molecular docking study also been carried out against a potential target MTB DprE1, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of the in vitro and in silico study suggest that the triazole incorporated benzothiazinone may possess the ideal structural requirements for further development of novel therapeutic agents. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2, 3-Triazole, ADME prediction, Antioxidant, Antitubercular, Docking study}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2015.11.071}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Arkile, Manisha A. and Khedkar, Vijay M. and Jadhav, Nandadeep J. and Sarkar, Dhiman and Shingate, Bapurao B.} } @article {42896, title = {Synthesis and biological evaluation of palmyrolide a macrocycles as sodium channel blockers towards neuroprotection}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, year = {2016}, month = {AUG}, pages = {8457-8473}, abstract = {

Palmyrolide A is a neuroprotective macrolide isolated by Gerwick and coworkers in 2010. This natural product is known to suppress neuronal spontaneous calcium ion oscillations through its voltage-gated sodium channel blocking ability which is of significant interest in CNS drug discovery. Herein, we give a detailed account on total synthesis of (+)-palmyrolide A and synthesis of a focused library of macrocycles around the scaffold, followed by their biological evaluation. Use of the chiral pool approach, Zhu{\textquoteright}s oxidative homologation, access to unnatural cis-palmyrolide A, preparation of 18 new analogues and identification of macrolides with improved sodium channel blocking activity are the important features of the present paper. As a measure of potency as voltage-gated sodium channel blockers, all the synthesized analogues were profiled for their ability to inhibit the veratridine-stimulated Na+ influx in murine primary neuronal cultures. Four macrocycles were found to be more potent or comparable to that of the natural product (-)-palmyrolide A. The most potent compound from this series 20 was structurally simplified and readily accessible in good quantities for further biological profiling.

}, author = {Philkhana, Satish Chandra and Mehrotra, Suneet and Murray, Thomas F. and Reddy, D. Srinivasa} } @article {45646, title = {Synthesis and characterization of FeTiO3 ceramics}, journal = {Arabian Journal of Chemistry}, volume = {9}, year = {2016}, month = {SEP}, pages = {S429-S432}, type = {Article}, abstract = {

Nanocrystalline FeTiO3 ceramics powders were prepared by the sol-gel process combined with a surfactant-assisted template method. The resulting powders were calcined at different temperatures ranging from 150 degrees C to 600 degrees C for 2 h in an air. The results revealed that a pure hexagonal phase of FeTiO3 could be obtained at low temperature, 600 degrees C. The phase evolution of FeTiO3 was investigated by X-ray diffraction patterns (XRD), Fourier-transform infrared spectroscopy (FT-IR), and X-ray photoelectron spectroscopy (XPS). Particle size and morphology was studied by transmission electron microscopy (TEM). (C) 2011 Production and hosting by Elsevier B.V. on behalf of King Saud University.

}, keywords = {Electron microscopy, hexagonal phase, Nanoparticles, sol-gel process, Ti-O bond}, issn = {1878-5352}, doi = {10.1016/j.arabjc.2011.05.012}, author = {Gambhire, Anil B. and Lande, Machhindra K. and Rathod, Sandip B. and Arbad, Balasaheb R. and Vidhate, Kaluram N. and Gholap, Ramakrishna S. and Patil, Kashinath R.} } @article { ISI:000374588500013, title = {Synthesis and characterization of nanoporous silica SBA-15 diaminocyclohexane and its application in removal of Cu(II) and Ni(II) from aqueous solution}, journal = {Desalination and Water Treatment}, volume = {57}, number = {33}, year = {2016}, month = {JUL}, pages = {15397-15409}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

A new nanoporous 1,2-diaminocyclohexane-functionalized SBA-15 (Dach@SBA-15) silica sorbent was prepared. The structure and physicochemical properties of the material were characterized by elemental analysis, X-ray diffraction, transmission electron microscopy (TEM), scanning electron microscopy, FT-IR spectroscopy, nitrogen adsorption-desorption isotherms and thermogravimetric analysis. TEM image clearly showed the sheet-like structure of Dach@SBA-15. The organic functional groups were successfully grafted onto the SBA-15 surface and the ordering of the support was not affected by the chemical modification. The Dach@SBA-15was used as a sorbent for removal of Cu(II) and Ni(II) from aqueous solution. Experimental parameters like effect of pH, contact time and metal ion concentration were studied and optimized. The adsorption isotherm data fitted well to Langmuir isotherm model and the monolayer adsorption capacity values for Cu(II) was 90.09 and for Ni (II) was 84.03 mg/g at 303 K. The experimental kinetic data fitted very well to the pseudosecond- order model. The Dach@SBA-15 could be used as a sorbent for removal of Cu(II) and Ni(II) from aqueous medium.

}, keywords = {Adsorption, BET, FAAS, FT-IR, Heavy metals, Nanoporous silica}, issn = {1944-3994}, doi = {10.1080/19443994.2015.1072741}, author = {Sreenu, Bhogineni and Sharma, Priti and Seshaiah, Kalluru and Singh, A. P.} } @article {45828, title = {Synthesis and characterization of novel polymer-hybrid silver nanoparticles and its biomedical study}, journal = {Materials Today: Proceedings}, volume = {3}, year = {2016}, month = {JUN}, pages = {1949-1957}, type = {Article}, abstract = {

Hybrid polymer metal nanoparticles have advantages over conventional metal nanoparticles with respect to their stability, chemical resistance, antibacterial activity and drug delivery properties. In the current work, we have synthesized novel stimuli-responsive polymer hybrid silver nanoparticles using green synthesis method, where the plant extract is used as a reducing agent in the synthesis. Encapsulating metal nanoparticles with stimuli-responsive soft-polymeric system is novel and provides additional versatility whose functions and properties can be tailored by controlling any of the stimuli such as pH, temperature, ionic strength with respect to their antibacterial activity and physiological condition. Moreover, green synthesis methods have advantages over conventional methods involving chemical reducing agents that are often associated with environmental toxicity because of their enhanced antibacterial and other biological effects. The synthesized hybrid particles were characterized using Dynamic light scattering, UV-Visible spectroscopy and Small angle x-ray scattering. Further, we have investigated the antibacterial and cytotoxicity effect of these hybrid particles against different bacterial cells ( Salmonella) and mammalian cell lines (HCT116) respectively. These results are discussed in the light of previous studied work and these results suggest that our synthesized polymer hybrid nanoparticles are more antibacterial and less cytotoxic than the usual silver nanoparticles. (C) 2015Elsevier Ltd.All rights reserved.

}, keywords = {Antibacterial effect, Cytotoxicity, Polymeric hybrid particless, silver nanoparticles}, doi = {10.1016/j.matpr.2016.04.096}, author = {Verma, Suresh Kumar and Jha, Ealisha and Kiran, K. J. and Bhat, Suresh and Suar, Mrutyunjay and Mohanty, P. S.} } @article {43612, title = {Synthesis and characterization of simple cost-effective trans-A(2)BC porphyrins with various donor groups for dye-sensitized solar cells}, journal = {New Journal of Chemistry}, volume = {40}, year = {2016}, month = {JUL}, pages = {5704-5713}, abstract = {We have designed and synthesized a series of simple cost-effective {\textquoteright}push-pull{\textquoteright} Zn(II) porphyrin dyes containing various electron donors such as 2-thienyl, pyrenyl, phenyl, 4{\textquoteright}-bromophenyl, 4{\textquoteright}-tbutylphenyl and 4{\textquoteright}-carboxyphenyl acceptor moieties in three steps. Their optical absorption spectra, electrochemical redox and photovoltaic properties have been investigated in detail. The overall power conversion efficiencies (Z) of DSSCs based on these dyes are in the range of 2.1 to 4.2\% and highly depend on their donor moiety. The incorporation of trans-10,20-dimesityl groups is highly beneficial for preventing the p-p aggregation among the porphyrin moieties, thus favorably suppressing the charge recombination and intermolecular interaction. Among all, pyrenyl appended Zn(II) porphyrin has exhibited a higher power conversion efficiency of 4.2\% under 1 sun illumination due to the extended p-conjugation and electron donating ability of the pyrenyl moiety.}, doi = {10.1039/c5nj02610e}, author = {Kumar, Ravi and Sankar, Muniappan and Sudhakar, Vediappan and Krishnamoorthy, Kothandam} } @article { ISI:000374104500001, title = {Synthesis and characterization of superhydrophobic-superoleophilic surface}, journal = {Journal of Sol-Gel Science and Technology}, volume = {78}, number = {3}, year = {2016}, month = {JUN}, pages = {475-481}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The binary superhydrophobic-superhydrophilic surface has been successfully achieved by a combination of nanoscale texture roughness on micro-textured cotton thread network by layer-by-layer deposition method through the single-step sol-gel route. Furthermore, microstructures with improved wettability were produced, in which silica nanotextures were grown without modifying the chemical method to form superoleophilic and superhydrophobic networks. A superoleophilic surface (oil contact angle 0A degrees) and a superhydrophobic coated cotton fabric with surface free energy of gamma (total) = 13. 23 +/- A 0.37 mJ m(-2) (water contact angle of 167 +/- A 1A degrees and a small sliding angle of 4 +/- A 1A degrees) were successfully obtained. The results were exemplified here by the creation of immiscible oils separation membranes, and the innumerable applications of this technology also include self-cleaning fabrics, antistaining fabrics, water purification, and antiwetting fabrics for military applications.

}, keywords = {contact angle, Layer-by-layer deposition method, sol-gel processing, Superhydrophobic-superoleophilic surface}, issn = {0928-0707}, doi = {10.1007/s10971-016-3974-7}, author = {Mahadik, Satish A. and Pedraza, Fernado D. and Relekar, Brahmanand P. and Parale, Vinayak. G. and Lohar, Gaurav M. and Thorat, Sagar S.} } @article { ISI:000370420000003, title = {Synthesis and characterization of thermally stable polyimides with a pendent phenothiazine unit based on new diamine 10-(3,5-diaminobenzoyl)phenothiazine}, journal = {High Performance Polymers}, volume = {28}, number = {1}, year = {2016}, month = {FEB}, pages = {26-33}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

A novel diamine 10-(3,5-diaminobenzoyl)phenothiazine (DBPT) with a side chain containing phenothiazine unit was synthesized. A new family of polyimides (PIs) containing phenothiazine unit in the side chains has been successfully synthesized by direct polycondensation of DBPT with pyromellitic dianhydride, 3,3{\textquoteright},4,4{\textquoteright}-benzophenone tertacarboxylic dianhydride, and 4,4{\textquoteright}-oxydiphthalic anhydride (ODA) via a conventional two-step chemical imidization process. The yield of polymers was good enough, which were soluble in most organic solvents. The molecular orbital energy gaps, thermal stability, and crystallinity of PIs were investigated by molecular modeling, thermogravimetric analysis, and wide-angle X-ray scattering, respectively. Thermal properties of polymers were good enough to permit the use of these PIs in various applications; only 49\% weight loss is detected at 900 degrees C in nitrogen atmosphere. X-Ray diffraction clearly reveals the amorphous nature of PIs. A quantum modeling study (density functional theory) has shown the influence of dianhydride structure on the energy difference of highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels.

}, keywords = {phenothiazine-containing diamine, Polyimide, thermally stable polymer}, issn = {0954-0083}, doi = {10.1177/0954008314568877}, author = {Ghorpade, Ravindra V. and Thorave, Asmita K. and Rajan, C. R. and Chavan, Nayaku and Ponrathnam, S.} } @article { ISI:000367915800019, title = {Synthesis and characterization of well-defined random and block copolymers of epsilon-caprolactone with l-lactide as an additive for toughening polylactide: Influence of the molecular architecture}, journal = {Journal of Applied Polymer Science}, volume = {133}, number = {14}, year = {2016}, month = {APR}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Well-defined multiarmed star random and block copolymers of epsilon-caprolactone with l-lactide with controlled molecular weights, low polydispersities, and precise numbers of arms were synthesized by the ring-opening polymerization of respective cyclic ester monomers. The polymers were characterized by H-1-NMR and C-13-NMR to determine their chemical composition, molecular structure, degree of randomness, and proof of block copolymer formation. Gel permeation chromatography was used to establish the degree of branching. Star-branched random copolymers exhibited lower glass-transition temperatures (T-g{\textquoteright}s) compared to a linear random copolymer. When the star random copolymers were melt-blended with poly(l-lactic acid) (PLA), we observed that the elongation of the blend increased with the number of arms of the copolymer. Six-armed block copolymers, which exhibited higher T-g{\textquoteright}s, caused the maximum improvement in elongation. In all cases, improvements in the elongation were achieved with no loss of stiffness in the PLA blends. (c) 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43267.

}, keywords = {biodegradable, copolymers, differential scanning calorimetry, mechanical properties, ring-opening polymerization}, issn = {0021-8995}, doi = {10.1002/app.43267}, author = {Deokar, Megha D. and Idage, Susheela B. and Idage, Bhaskar B. and Sivaram, Swaminathan} } @article { ISI:000373739700025, title = {Synthesis and docking studies of pyrazine-thiazolidinone hybrid scaffold targeting dormant tuberculosis}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {9}, year = {2016}, month = {MAY}, pages = {2224-2228}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The persistence of Mycobacterium tuberculosis (MTB) in dormant stage assists the pathogen to develop resistance against current antimycobactrial drugs. To address this issue, we report herein the synthesis of N-(4-oxo-2 substituted thiazolidin-3yl) pyrazine-2-carbohydrazide derivatives designed by following the molecular hybridization approach using pyrazine and thiazolidenone scaffolds. The compounds were evaluated against MTB H37Ra and Mycobacterium bovis BCG in dormancy model. Most of the compounds had IC50 values in 0.3-1 mu g/ml range. The active compounds were further tested for anti-proliferative activity against THP-1, Panc-1, A549, and MCF-7 cell lines using MTT assay and exhibited no significant cytotoxicity. We also report molecular docking studies using active analogs and MTB Decaprenylphosphoryl-beta-D-ribose-2{\textquoteright}-epimerase (DprE1) to rationalize the biological activity and to provide an insight into the probable mechanism of action and binding mode of hybridized structures. The results obtained validate the use of molecular hybridization approach and also suggest that reported compounds can provide a novel pharmacophore to synthesize lead compounds against dormat MTB. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {docking, Dormant, Hybrid design, Pyrazine, Thiazolidenone, tuberculosis}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.03.055}, author = {Chitre, T. S. and Asgaonkar, K. D. and Miniyar, P. B. and Dharme, A. B. and Arkile, Manisha A. and Yeware, A. and Sarkar, Dhiman and Khedkar, Vijay M. and Jha, Prakash C.} } @article { ISI:000370693900022, title = {Synthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents (vol 6, pg 2209, 2015)}, journal = {Medchemcomm}, volume = {7}, number = {2}, year = {2016}, month = {DEC}, pages = {379}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {2040-2503}, doi = {10.1039/c5md90062j}, author = {Borate, Hanumant B. and Annadate, Ritesh A. and Vagh, Sandip S. and Pisal, Mahesh M. and Deokate, Sagar B. and Arkile, Manisha A. and Jadhav, Nandadeep J. and Nawale, Laxman U. and Sarkar, Dhiman} } @article { ISI:000373492800012, title = {Synthesis and properties of poly(arylene ether)s based on 3-pentadecyl 4,4{\textquoteright}-biphenol}, journal = {Polymer International}, volume = {65}, number = {5}, year = {2016}, month = {MAY}, pages = {567-576}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A new biphenol, 3-pentadecyl 4,4-biphenol, was synthesized starting from 3-pentadecylphenol and was polycondensed with 4,4-difluorobenzophenone, 1,3-bis(4-fluorobenzoyl)benzene and bis(4-fluorophenyl)sulfone to obtain poly(arylene ether)s with biphenylene linkages in the backbone and pendent pentadecyl chains. Inherent viscosities and number-average molecular weights (M-n) of the poly(arylene ether)s were in the range 0.50 - 0.81 dL g(-1) and 2.2 x 10(4) - 8.3 x 10(4), respectively. Detailed NMR spectroscopic studies of the poly(arylene ether)s indicated the presence of constitutional isomerism which existed because of the non-symmetrical structure of 3-pentadecyl 4,4-biphenol. The poly(arylene ether)s readily dissolved in common organic solvents such as dichloromethane, chloroform and tetrahydrofuran and could be cast into tough, transparent and flexible films from their chloroform solutions. The poly(arylene ether)s exhibited T-g values in the range 35-60 degrees C which are lower than that of reference poly(arylene ether)s without pentadecyl chains. The 10\% decomposition temperatures (T-10) of the poly(arylene ether)s were in the range 410-455 degrees C indicating their good thermal stability. A gas permeation study of poly(ether sulfone) containing pendent pentadecyl chains revealed a moderate increase in permeability for helium, hydrogen and oxygen. However, there was a large increase in permeability for carbon dioxide which could be attributed to the internal plasticization effect of pendent pentadecyl chains. (c) 2016 Society of Chemical Industry

}, keywords = {cashew nut shell liquid (CNSL), gas permeation study, pentadecyl, poly(arylene ether)s, thermal stability}, issn = {0959-8103}, doi = {10.1002/pi.5095}, author = {Tawade, Bhausaheb V. and Shaligram, Sayali V. and Valsange, Nitin G. and Kharul, Ulhas K. and Wadgaonkar, Prakash P.} } @article { ISI:000369679500020, title = {Synthesis and self-assembly of dumbbell shaped ZnO sub-micron structures using low temperature chemical bath deposition technique}, journal = {Materials Chemistry and Physics}, volume = {169}, year = {2016}, month = {FEB}, pages = {152-157}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

We report well dispersed horizontal growth of ZnO sub-micron structures using simplest technique ever known i.e. chemical bath deposition (CBD). A set of samples were prepared under two different cases A) dumbbell shaped ZnO grown in CBD bath and B) tubular ZnO structures evolved from dumbbell shaped structures by dissolution mechanism. Single phase wurtzite ZnO formation is confirmed using X-ray diffraction (XRD) technique in both cases. From the morphological investigations performed using scanning electron microscopy (SEM), sample prepared under case A indicate formation of hex bit tool (HBT) shaped ZnO crystals, which observed to self-organize to form dumbbell structures. Further these microstructures are then converted into tubular structures as a fragment of post CBD process. The possible mechanism responsible for the self-assembly of HBT units to form dumbbell structures is discussed. Observed free excitonic peak located at 370 nm in photoluminescence (PL) spectra recorded at 18 K indicate that the micro/nanostructures synthesized using CBD are of high optical quality. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Electron microscopy (STEM, Microstructure, Nanostructures, Optical properties, Photoluminescence spectroscopy, Raman spectroscopy and scattering, TEM and SEM)}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2015.11.042}, author = {Borade, P. and Joshi, K. U. and Gokarna, A. and Lerondel, G. and Walke, P. and Late, Dattatray J. and Jejurikar, S. M.} } @article {43636, title = {Synthesis and structural characterization of twin liquid crystalline perylenebisimides}, journal = {New Journal of Chemistry}, volume = {40}, year = {2016}, month = {AUG}, pages = {8471-8478}, abstract = {A series of twin perylenebisimide (PBI) molecules were synthesized and characterized having the structure PBI-(methylene spacer)-n-PBI where the length of the central polymethylene spacer segment was varied from n = 1 to 12. The PBI unit was imidized with an ethyl hexyl branched alkyl segment at the terminal and pentadecyl phenol at the other end which was linked through the polymethylene spacer to form the twin molecules. The differential packing afforded by the odd and even spacer central methylene segments resulted in an odd-even oscillation of the melting transitions as well as their enthalpies with higher values observed for the even twins. The odd-even oscillation was quite prominent for the spacers up to n < 7 after which it tapered off. PBI-T1 and PBI-T3 exhibited tendencies to form smectic liquid crystalline (LC) phases while most of the higher membered twin molecules exhibited tendencies for high temperature nematic phases. The ability to control the crystalline or mesogenic nature of the PBI molecules, which constitute an important member of the n type rylenebisimide family that finds application as electron transporters in field effect transistors (FETs) and organic solar cells, is promising as it provides a handle to design systems whose bulk packing is pre-defined to suit the requirements of the application.}, doi = {10.1039/c6nj00524a}, author = {Prajitha, K. P. and Asha, S. K.} } @article {43621, title = {Synthesis and study of calixarene-doped polypyrrole-TiO2/ZnO composites: antimicrobial activity and electrochemical sensors}, journal = {Journal of Polymer Research}, volume = {23}, year = {2016}, month = {JAN}, abstract = {The present communication describes the synthesis of an electroactive nanocomposite of calixarene- doped polypyrrole ( PPY) containing an oxide of Ti/ Zn. The additive TiO2/ ZnO serves as an oxidizing agent for the polymerization, thus avoiding the use of hazardous organic solvents while calixarene doping stabilizes the polymer. The materials synthesized herein were characterized by UV- visible spectroscopy, FT- IR spectroscopy, scanning electron microscopy ( SEM), transmission electron microscopy ( TEM), energy- dispersive X- ray spectroscopy ( EDX), X- ray photoelectron spectroscopy ( XPS), and cyclic voltammetry ( CV) of synthesized nanocomposites. It was revealed that the resulting calixarene- doped polypyrrole- TiO2/ ZnO nanocomposite has ( 1) long- time stability, ( 2) significant electrochemical activity for sensing formaldehyde, and ( 3) good antimicrobial activity.}, doi = {10.1007/s10965-016-0921-9}, author = {Waghmode, Babasaheb J. and Husain, Zahid and Joshi, Meenal and Sathaye, Shivaram D. and Patil, Kashinath R. and Malkhede, Dipalee D.} } @article { ISI:000368533200012, title = {Synthesis and tyrosinase inhibition activity of trans-stilbene derivatives}, journal = {Bioorganic Chemistry}, volume = {64}, year = {2016}, month = {FEB}, pages = {97-102}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Synthesis of a focussed library of trans-stilbene compounds through Wittig and other base catalysed condensation reactions is presented. The synthesized stilbenes were screened for their inhibitory potential against murine tyrosinase activity to explore the structure activity relationship (SAR). Presence of electron withdrawing group (-CN) at the double bond and hydroxyl group or halogen atom especially at para-position on the aromatic rings was found to significantly elevate the inhibitory activity. Among all the compounds screened, compounds 2, 6, 8, 10, 11, 15 and 21 were found to exhibit appreciable inhibitory activity. Compound 21 ((E)-2,3-bis(4-Hydroxyphenyl) acryonitrile) was found to be the most active with an IC50 value of 5.06 mu M which is less than half of the value 10.78 mu M observed for resveratrol (common standard used in murine tyrosinase activity studies) under similar conditions. The results obtained from the present study reveal structural/functional group sensitivity for the tyrosinase inhibitory activity of stilbenoid moieties and are expected to be very helpful for the design and synthesis of novel, selective and effective tyrosinase inhibitors. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {Electron withdrawing groups, Murine tyrosinase activity, Resveratrol, Stilbenoids, Tyrosinase inhibitors, Wittig reaction}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2016.01.001}, author = {Ismail, Tabasum and Shafi, Syed and Srinivas, Jada and Sarkar, Dhiman and Qurishi, Yasrib and Khazir, Jabeena and Alam, Mohammad Sarwar and Kumar, Halmuthur Mahabalarao Sampath} } @article { ISI:000371304100018, title = {Synthesis, biological evaluation and molecular docking of novel coumarin incorporated triazoles as antitubercular, antioxidant and antimicrobial agents}, journal = {Medicinal Chemistry Research}, volume = {25}, number = {4}, year = {2016}, month = {APR}, pages = {790-804}, publisher = {SPRINGER BIRKHAUSER}, address = {233 SPRING STREET, 6TH FLOOR, NEW YORK, NY 10013 USA}, abstract = {

A series of new coumarin-based 1,2,3-triazole derivatives were designed, synthesized and evaluated for their antitubercular activity in vitro against Mycobacterium tuberculosis H37Ra, antioxidant activity by DPPH radical scavenging assay, antimicrobial activity in vitro against three gram-positive bacteria (Staphylococcus aureus, Micrococcus luteus and Bacillus cereus) and three gram-negative bacteria (Escherichia coli, Pseudomonas fluorescens and Flavobacterium devorans as well as three fungi (Aspergillus niger, Penicillium chrysogenum and Curvularia lunata). The bioactive assay showed that some synthesized coumarin triazoles displayed comparable or even better antitubercular, antioxidant, antibacterial and antifungal efficacy in comparison with reference drugs. Furthermore, docking study has been performed against DprE1 enzyme of M. tuberculosis that showed good binding interactions. Moreover, the synthesized compounds were also analyzed for ADME properties and showed potential to build up as good oral drug candidates. New coumarin-based 1,2,3-triazole derivatives were designed, synthesized and evaluated for their antitubercular, antioxidant, antibacterial and antifungal activity. Some of the coumarin-based triazole derivatives displayed comparable or even better efficacy in comparison with reference drugs. Molecular docking study has been performed against DprE1 enzyme of Mycobacterium tuberculosis showed good binding interactions. [GRAPHICS] .

}, keywords = {1, 2, 3-Triazole, ADME prediction, Antimicrobial, Antioxidant, Antitubercular, Click chemistry, Docking study}, issn = {1054-2523}, doi = {10.1007/s00044-016-1519-9}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Shingate, Bapurao B. and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Khedkar, Vijay M. and Nawale, Laxman and Sarkar, Dhiman and Navale, Govinda R. and Shinde, Sandip S.} } @article { ISI:000372031300074, title = {Synthesis, biological evaluation and molecular docking studies of N-acylheteroaryl hydrazone derivatives as antioxidant and anti-inflammatory agents}, journal = {Research on Chemical Intermediates}, volume = {42}, number = {3}, year = {2016}, month = {MAR}, pages = {2707-2729}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

In search of new therapeutics with greater potency, three new series of 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide derivatives have been synthesized and evaluated for their in vitro antioxidant and anti-inflammatory activities. The hydrazones bearing a core pyrazole, chromone and tetrazolo[1,5-a]quinoline scaffold showed promising activities. Interestingly, compounds 3a (EC50 = 06.00 +/- A 2.36) and 5c (EC50 = 07.21 +/- A 0.67) showed the most potent antioxidant activity, while compounds 3a (EC50 = 10.25 +/- A 1.08), 7b (EC50 = 10.50 +/- A 0.99) and 7c (EC50 = 11.18 +/- A 0.15) showed significant anti-inflammatory activity. Furthermore, molecular docking studies also revealed a significant correlation between the binding score and biological activity for these compounds to describe the molecular basis for the structure activity relationship (SAR) results. As these compounds are good cyclooxygenase inhibitors, isoenzyme inhibitory potency studies are warranted.

}, keywords = {Anti-inflammatory, Antioxidant, Docking study, N-Acylhydrazones, Structure-activity relationship}, issn = {0922-6168}, doi = {10.1007/s11164-015-2176-1}, author = {Mahajan, Pravin S. and Nikam, Mukesh D. and Khedkar, Vijay M. and Jha, Prakash C. and Sarkar, Dhiman and Gill, Charansingh H.} } @article { ISI:000371344600027, title = {Synthesis, biological evaluation and molecular docking study of some novel indole and pyridine based 1,3,4-oxadiazole derivatives as potential antitubercular agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {7}, year = {2016}, month = {APR }, pages = {1776-1783}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of indole and pyridine based 1,3,4-oxadiazole derivatives 5a-t were synthesized and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG both in active and dormant state. Compounds 5b, 5e, 5g and 5q exhibited very good antitubercular activity. All the newly synthesized compounds 5a-t were further evaluated for antiproliferative activity against HeLa, A549 and PANC-1 cell lines using modified MTT assay and found to be noncytotoxic. On the basis of cytotoxicity and MIC values against Mycobacterium bovis BCG, selectivity index (SI) of most active compounds 5b, 5e, 5g and 5q was calculated (SI = GI(50)/MIC) in active and dormant state. Compounds 5b, 5e and 5g demonstrated SI values \>= 10 against all three cell lines and were found to safe for advance screening. Compounds 5a-t were further screened for their antibacterial activity against four bacteria strains to assess their selectivity towards MTB. In addition, the molecular docking studies revealed the binding modes of these compounds in active site of enoyl reductase (InhA), which in turn helped to establish a structural basis of inhibition of mycobacteria. The potency, low cytotoxicity and selectivity of these compounds make them valid lead compounds for further optimization. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {1, 3, 4-Oxadiazole, Antitubercular activity, Cytotoxicity, Indole, Molecular docking, Pyridine}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.02.043}, author = {Desai, N. C. and Somani, Hardik and Trivedi, Amit and Bhatt, Kandarp and Nawale, Laxman and Khedkar, Vijay M. and Jha, Prakash C. and Sarkar, Dhiman} } @article { ISI:000371304100013, title = {Synthesis, biological valuation, and QSAR studies of novel pyrazole bearing pyridyl oxadiazole analogues as potential antimicrobial agents}, journal = {Medicinal Chemistry Research}, volume = {25}, number = {4}, year = {2016}, month = {APR}, pages = {712-727}, publisher = {SPRINGER BIRKHAUSER}, address = {233 SPRING STREET, 6TH FLOOR, NEW YORK, NY 10013 USA}, abstract = {

A new series of 1-(2-(3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-(pyridin-4-yl)-1,3,4 -oxadiazol-3(2H)-yl)-3-(aryl)prop-2-en-1-ones (5a-l) were synthesized by a simple and efficient synthetic protocol. The newly synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR and Mass spectroscopy. The resulting structural diversity was screened for its antimicrobial activity the following bacterial and fungal strains: two Gram-positive bacteria [Staphylococcus aureus (MTCC-96), Streptococcus pyogenes (MTCC-442)], two Gram-negative bacteria [Escherichia coli (MTCC-443), Pseudomonas aeruginosa (MTCC-1688)] and three fungal species (C. albicans, A. niger and A. clavatus). Following this, in vitro cytotoxicity activity against HeLa cell lines was measured by MTT [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide] assay. The observations derived from the diverse assays were utilized for building classification models based on a binary QSAR approach termed recursive partitioning (RP) analysis to probe the physic-chemical properties influencing the SAR for molecules. The decision tree derived from RP analysis could highlight structural characteristics that discriminate the actives from inactives which can serve as guide to design molecules with improved potency. In silico ADME predictions were performed to gauge their pharmacokinetic, safety and drug likeness profile.

}, keywords = {1, 3, 4-Oxadiazole, Antimicrobial activity, Cytotoxicity, Pyrazole, Pyridine, QSAR}, issn = {1054-2523}, doi = {10.1007/s00044-016-1511-4}, author = {Desai, N. C. and Kotadiya, G. M. and Trivedi, A. R. and Khedkar, Vijay M. and Jha, Prakash C.} } @article { ISI:000373619000021, title = {Synthesis, microstructure, optical and field emission studies of iron vanadium oxide nanosheets}, journal = {Journal of Physics D-Applied Physics}, volume = {49}, number = {14}, year = {2016}, month = {APR}, pages = {145301}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

We report a single step growth of thin graphene-like, densely packed FeV3O8 (FVO) nanosheets on silicon substrates via facile hydrothermal synthesis. These nanosheets have dimensions of a few microns with thin edges, offering very high aspect ratio. These FVO nanosheets exhibit excellent field emission behaviour with low turn on and threshold voltages of 1.3 V mu m(-1) and 1.7 V mu m(-1), respectively. The corresponding emitter delivers high emission current density of (similar to 1.650 mA cm(-2)) at fairly low applied field (similar to 4.00 V mu m(-1)).

}, keywords = {FeV3O8, field emission, nanosheets}, issn = {0022-3727}, doi = {10.1088/0022-3727/49/14/145301}, author = {Badadhe, Satish S. and Suryawanshi, Sachin R. and Naphade, Rounak A. and Chaudhary, Minakshi V. and More, Mahendra A. and Shelke, Manjusha V. and Ogale, Satishchandra B.} } @article { ISI:000379253100009, title = {Synthesis of 2-phenoxy-2-phenylethyl acrylate and copolymerization with 2-phenylethyl acrylate: estimation of monomer reactivity ratios, thermal and optical properties}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {53}, number = {7}, year = {2016}, month = {MAY}, pages = {457-464}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

A new aromatic based monomer 2-phenoxy-2-phenylethyl acrylate (PPEA) was synthesized. Copolymers of PPEA with 2-phenylethyl acrylate (PEA) were prepared by free radical polymerization. The reactivity ratios were estimated using various graphical methods. Structural parameters of the copolymers were obtained by calculating the dyad monomer sequence fractions and the mean sequence length. Optical properties of polymers such as refractive indices and UV-Visible absorption were investigated. The glass transition temperature and thermal degradation behavior of the copolymers were studied. Combined with the RI, transparency and thermal properties, prepared copolymers hold great promise as materials for intraocular lens applications.

}, keywords = {2-Phenoxy-2-phenylethyl acrylate, 2-phenylethyl acrylate, copolymerization, Optical properties, reactivity ratios, Thermal properties}, issn = {1060-1325}, doi = {10.1080/10601325.2016.1176447}, author = {Ghorpade, Ravindra V. and Ponrathnam, Surendra and Chavan, Nayaku} } @article {42431, title = {Synthesis of 4H-chromenes by an unexpected, K3PO4-mediated intramolecular rauhut{\textendash}currier type reaction}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, year = {2016}, month = {APR}, pages = {5612-5616}, abstract = {

In an attempt to develop the umpolung of Michael acceptors using chalcones having an enoate moiety under N-heterocyclic carbene (NHC) catalysis, a K3PO4-mediated intramolecular Rauhut{\textendash}Currier type reaction was observed. This C(sp2){\textendash}C(sp2) coupling reaction afforded the biologically important 4H-chromenes in moderate to good yields. It is likely that the enol ether functionality acts as the nucleophilic trigger in this reaction.

}, doi = {10.1039/C6OB00654J}, author = {Bhunia, Anup and Yetra, Santhivardhana Reddy and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {45830, title = {Synthesis of Au@Ni bimetallic core shell nanoparticle and nanochains in soyabean oil and their catalytic hydrogenation reactions}, journal = {ChemistrySelect}, volume = {1}, year = {2016}, month = {FEB}, pages = {140-146}, type = {Article}, abstract = {

Synthesis of Au@Ni bimetallic core shell nanostructures using commercially available soya bean oil as the solvent through a sequential reduction strategy is reported. The energy efficiency and economic viability comes from the much milder temperatures and replacement of expensive and environmentally hazardous solvents like long chain organic amines and acids previously reported for synthesis. Thus, core shell nanoparticles having size regime of 10-15 nm with an excellent control over the nickel shell thickness (2 nm) over the gold core (8-10 nm) and Au@Ni nanochains is achieved. The synthesized materials are demonstrated to synergistically catalyze hydrogenation of nitro and C-C multiple bonds with much better efficiency as compared to individual nanoparticle counterparts.

}, keywords = {Bimetallic nanoparticles, Gold catalysis, hydrogenation reactions, synergistic effects}, issn = {2365-6549}, doi = {10.1002/slct.201500006}, author = {Bharathan, Vysakh A. and Yadukiran, V. and Lazar, Anish and Singh, Anand. P. and Vinod, Chathakudath P.} } @article {45875, title = {Synthesis of fuel intermediates from HMF/fructose}, journal = {Catalysis Letters}, volume = {146}, year = {2016}, month = {OCT}, pages = {1984-1990}, type = {Article}, abstract = {Alkylation of toluene, anisole and mesitylene with HMF and fructose is reported using Glu{\textendash}Fe3O4{\textendash}SO3H solid acid catalyst. HMF was found to alkylate toluene, anisole and mesitylene in high yields and high selectivity under solvent free conditions. Polyalkylation and self etherification of HMF was not observed. The alkylated product on hydrodeoxygenation forms liquid alkanes of different chain lengths which have properties of transportation fuels or diesel fuels. The catalyst was easily recoverable and reusable minimum 5 times to achieve good yields and high selectivity of alkylated product.}, doi = {10.1007/s10562-016-1836-0}, author = {Nale, S. D. and Jadhav, V. H. and } } @article {43167, title = {Synthesis of functionalized 6-hydroxy-2-oxindole derivatives by phenoxide cyclization}, journal = {Organic Letters}, volume = {18}, year = {2016}, month = {DEC}, pages = {6264-6267}, abstract = {An apparent intramolecular cross-dehydrogenative coupling of N-(3-hydrox)monoanilide of maleic esters comprising base promoted phenoxide cyclization and subsequent base-mediated aerobic oxidation was developed to synthesize a variety of 2-(6-hydroxy-2-oxoindolin-3-ylidene)-acetate derivatives. The isolation of intermediate cyclized products during the large scale reactions and their ready dehydrogenation with 1 equiv of base support this proposed two-step path.}, author = {Reddy, B. Narendraprasad and Ramana, Chepuri V.} } @article { ISI:000379431000015, title = {Synthesis of functionalized amino epoxides by a three-component coupling involving aziridines, arynes and aldehydes}, journal = {Chemical Communications}, volume = {52}, number = {58}, year = {2016}, month = {JAN}, pages = {9044-9047}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A transition-metal-free three-component coupling involving N-substituted aziridines, arynes and aldehydes resulting in the formation of trisubstituted N-aryl alpha-amino epoxides has been demonstrated. The reaction likely proceeds via the highly strained cyclic nitrogen ylide intermediates generated from aziridines and arynes.

}, issn = {1359-7345}, doi = {10.1039/c6cc00057f}, author = {Roy, Tony and Thangaraj, Manikandan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000373440600012, title = {Synthesis of new hybrid sorbent 2-mercaptobenzaldehyde SBA-15 and its application in solid phase extraction of Cd(II) from water and food samples}, journal = {Analytical Methods}, volume = {8}, number = {14}, year = {2016}, month = {MAR}, pages = {2947-2954}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this paper, a new mesoporous hybrid material was fabricated by anchoring 2-mercaptobenzaldehyde (2MB) onto the surface of SBA-15. The adsorbent (2MB-SBA-15) was characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), nitrogen adsorption-desorption isotherm measurements and thermogravimetric analysis (TGA) and applied as a sorbent in the preconcentration of Cd(II) in water samples and food samples. The effect of various analytical parameters such as pH, dose of sorbent, amount of eluent, sample flow rate and interfering ions was investigated. The preconcentration capacity of the prepared material under optimized conditions for Cd(II) was 0.94 +/- 0.01 mmol g(-1). The Cd collected onto the sorbent was eluted out with 10 mL of 1 M HNO3 and determined by AAS. The LOD, LOQ and preconcentration factor of the present method were found to be 6.93 x 10(-6), 1.21 x 10(-5) mM and 100, respectively. The relative standard deviation for four preconcentration experiments was found to be \<= 5\%.

}, issn = {1759-9660}, doi = {10.1039/c5ay03031e}, author = {Sreenu, B. and Imran, K. and Seshaiah, K. and Sharma, Priti and Singh, A. P.} } @article {43628, title = {Synthesis of Ni-doped ZnO nanostructures by low-temperature wet chemical method and their enhanced field emission properties}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {OCT}, pages = {104318-104324}, abstract = {In this study, we report an enhancement in the field emission (FE) properties of ZnO nanostructures obtained by doping with Ni at a base pressure of similar to 1 x 10(-8) mbar, which were grown by a simple wet chemical process. The ZnO nanostructures exhibited a single-crystalline wurtzite structure up to a Ni doping level of 10\%. FESEM showed a change in the morphology of the nanostructures from thick nanoneedles to nanoflakes via thin nanorods with an increase in the Ni doping level in ZnO. The turn-on field required to generate a field emission (FE) current density of 1 mu A cm(-2) was found to be 2.5, 2.3, 1.8 and 1.7 V mu mcm(-2) for ZnO (Ni0\%), ZnO (Ni5\%), ZnO (Ni7.5\%) and ZnO (Ni10\%), respectively. A maximum current density of similar to 872 mu A cm(-2) was achievable, which was generated at an applied field of 3.1 V mu m cm(-2) for a Ni doping level of 10\% in ZnO. Long-term operational current stability was recorded at a preset value of 5 mA for a duration of 3 h and was found to be very high. The experimental results indicate that Ni-doped ZnO-based field emitters can open up many opportunities for their potential use as an electron source in flat panel displays, transmission electron microscopy, and the generation of X-rays. Thus, the simple low-temperature (similar to 80 degrees C) wet chemical synthesis approach and the robust nature of the ZnO nanostructure field emitter can provide prospects for the future development of cost-effective electron sources.}, doi = {10.1039/c6ra21190a}, author = {Rana, Amit Kumar and Bankar, Prashant and Kumar, Yogendra and More, Mahendra A. and Late, Dattatray J. and Shirage, Parasharam M.} } @article { ISI:000374810700032, title = {Synthesis of novel Cu2S nanohusks as high performance counter electrode for CdS/CdSe sensitized solar cell}, journal = {Journal of Power Sources}, volume = {315}, year = {2016}, month = {MAY}, pages = {277-283}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An important component of quantum dot sensitized solar cells (QDSSC) is the counter electrode which mediates the regeneration of oxidized quantum dots by reducing the polysulphide electrolyte. However, design and synthesis of an efficient counter electrode material is a challenging task. Herein, we report the synthesis of a unique Cu2S nanohusks directly on FTO coated glass substrates by electrodeposition and used as a counter electrode in QDSSC. When these electrodes are used for the reduction of polysulfide electrolyte in QDSSC, they exhibit higher catalytic activity and photovoltaic performance as compared to the Platinum counter electrode. The power conversion efficiency of about 4.68\% has been achieved by optimizing the deposition time of Cu2S. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {counter electrode, Cu2S electrodeposition, Cu2S nanohusks, Quantum dot-sensitized solar cell}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2016.03.027}, author = {Kamaja, Chaitanya Krishna and Devarapalli, Rami Reddy and Dave, Yasha and Debgupta, Joyashish and Shelke, Manjusha V.} } @article {43372, title = {Synthesis of ophiocerins A, B and C, botryolide E, decarestrictine O, stagonolide C and 9-epi-stagonolide C employing chiral hexane-1,2,3,5-tetraol derivatives as building blocks}, journal = {European Journal of Organic Chemistry}, volume = {27}, year = {2016}, month = {SEP}, pages = {4696-4710}, abstract = {An organocatalytic approach to the synthesis of (2R,3S)-hexane-1,2,3,5-tetraol (11) derivatives (in the forms of different stereoisomers and bearing different protecting groups) has been developed. The key chiral intermediates 11 were prepared with complete stereocontrol through the proline-catalyzed intermolecular aldol reaction between acetone and d-glyceraldehyde acetonide. The synthetic utility of the intermediates was demonstrated by their transformation into the title hydroxylated pyrans and a variety of unsaturated lactones through standard synthetic protocols.}, doi = {10.1002/ejoc.201600625}, author = {Show, Krishanu and Kumar, Pradeep} } @article {42572, title = {Synthesis of (-)-phaitanthrin D and (+)-dihydropyrroloindoloquinazolinone}, journal = {Synthesis-Stuttgart}, volume = {48}, year = {2016}, month = {SEP}, pages = {2896-2903}, abstract = {

The synthesis of (-)-phaitanthrin D and (+)-dihydropyrroloindoloquinazolinone are reported starting from the corresponding especially designed enantiomerically pure pivotal anthranilamide based building blocks using HMDS/ZnCl2 and NaHMDS.

}, doi = {10.1055/s-0035-1562098}, author = {Vaidya, Sagar D. and N. P. Argade} } @article {43417, title = {Synthesis of polyhydroxylated conidine alkaloid as a conformationally restricted azasugar}, journal = {Synlett}, volume = {27}, year = {2016}, month = {DEC}, pages = {2799-2802}, abstract = {A conformationally restricted polyhydroxylated 1-azabicyclo[4.2.0]octane core has been synthesized in search for a potent selective glycosidase inhibitor. The key feature of the synthesis involves the high stereoselective photoelectron-transfer-promoted cyclization of the strained alpha-trimethylsilylmethylazetidine moiety to the tethered pi functionality.}, doi = {10.1055/s-0036-1588312}, author = {Pal, Sujit and Dumbre, Shrinivas G.} } @article {42735, title = {Synthesis of quinoline-based NNN-pincer nickel(II) complexes: a robust and improved catalyst system for C{\textendash}H bond alkylation of azoles with alkyl halides}, journal = {Organometallics}, volume = {35}, year = {2016}, month = {MAY}, pages = {1785{\textendash}1793}, abstract = {

The quinoline-based pincer nickel(II) complexes κN,κN,κN-{R2N-C6H4-(μ-N)-C9H6N}NiX ((R2NNNQ)NiCl: R = Me, 2a; R = Et, 2b) were synthesized by the reaction of the ligand precursors (R2NNNQ)H (R = Me, 1a; R = Et, 1b) with (DME)NiCl2 in the presence of Et3N. Similarly, the pincer nickel(II) derivatives (R2NNNQ)NiX (R = Me, X = Br, 3a; R = Et, X = Br, 3b; R = Me, X = OAc, 4a) were obtained by treatment of the ligands (R2NNNQ)H with the nickel precursor (THF)2NiBr2 or Ni(OAc)2. All of these complexes were characterized by 1H and 13C NMR spectroscopy as well as by elemental analysis. Further, the molecular structures of 2a and 3a,b were elucidated by X-ray crystallography. Complex 2a is found to be an efficient catalyst for the direct C{\textendash}H bond alkylation of substituted benzothiazoles and oxazoles with various unactivated alkyl halides containing β-hydrogens under mild reaction conditions. The catalyst 2a is very robust and was recycled and reused five times for the alkylation reaction without a decrease in its catalytic activity. Preliminary studies reveal that the catalyst 2a acts as an active catalyst and the alkylation reaction appears to operate via a radical pathway.

}, doi = {10.1021/acs.organomet.6b00201}, author = {Patel, Ulhas N. and Pandey, Dilip K. and Gonnade, Rajesh G. and Punji, Benudhar} } @article { ISI:000380018700009, title = {Synthesis of renewable copolyacetals with tunable degradation}, journal = {Macromolecular Chemistry and Physics}, volume = {217}, number = {12}, year = {2016}, month = {JUN}, pages = {1396-1410}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Acetal metathesis copolymerization (AMCP) of renewable isohexide diacetals and aliphatic long-chain diacetals is reported and access to a small family of copolyacetals has been established. Crucial 1-2D NMR and MALDI-ToF-MS findings unambiguously confirm the existence of a copolymeric structure. In a stark contrast to the earlier reported isohexide-polyacetals, the current copolyacetals reveal very slow degradation. Hydrolytic degradation of copolyacetal pellets is extremely slow at pH 7, whereas only 30\% degradation over a period of 15 d is observed in 9 M hydrochloric acid solution. GPC investigations reveal that with increasing chain-length the rate of degradation reduces, whereas copolyacetals with short-chain aliphatic segments display a faster degradation profile. The reduced rate of degradation can be attributed to the hydrophobic nature of long-chain acetal segments. In situ NMR spectroscopy reveals the existence of formates, hemiacetals, and diols as degradation products. Thus, the rate of degradation can be tuned by the judicious choice of isohexide-diacetal and linear-diacetals in a copolyacetal.

}, keywords = {copolyacetals, degradable polymers, diacetals, isohexides, renewable polymers}, issn = {1022-1352}, doi = {10.1002/macp.201600071}, author = {Rajput, Bhausaheb S. and Chander, Umesh and Arole, Kailash and Stempfle, Florian and Menon, Shamal K. and Mecking, Stefan and Chikkali, Samir H.} } @article { ISI:000377612300008, title = {Synthesis of revised structure of klaivanolide (acetylmelodorinol)}, journal = {Arkivoc}, number = {2}, year = {2016}, month = {OCT}, pages = {116-122}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

Klaivanolide (acetylmelodorinol) is an anti-leishmanial/anti-trypanosomal agent isolated from Uvaria klaineana and the structure was originally assigned as a 7-membered lactone with extended conjugation and S-configuration at the lactone junction. Very recently, the structure of klaivanolide was revised as previously known compound acetylmelodorinol. Now, we have synthesized the revised structure in racemic form using a short route.

}, keywords = {acetylmelodorinol, Klaivanolide, leishmaniasis, Natural product}, issn = {1551-7004}, doi = {10.3998/ark.5550190.p009.231}, author = {Raut, Gajanan N. and Wagh, Sachin B. and Reddy, D. Srinivasa} } @inbook {43050, title = {Synthesis of silicon(II) compounds and their reactions}, booktitle = {Efficient methods for preparing silicon compounds}, year = {2016}, pages = {233-242}, publisher = {Academic Press, Elsevier}, organization = {Academic Press, Elsevier}, chapter = {18}, address = {Netherland}, author = {Sen, Sakya S. and Roesky, Herbert W.} } @article { ISI:000372156200013, title = {Synthesis of Sn-containing anatase (TiO2) by sol-gel method and their performance in catalytic water splitting under visible light as a function of tin content}, journal = {Materials Letters}, volume = {171}, year = {2016}, month = {MAY}, pages = {50-54}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Sol-gel route was employed to prepare a series of Sn-containing anatase with different molar (Ti/Sn) ratios ranging from 49 to 1. Samples were characterized by powder XRD, UV-vis, XPS, SEM, EDAX, low temperature N-2 sorption technique and Raman Spectroscopy. Except anatase phase, no other crystalline phase was observed when Ti/Sn molar ratio was varied from 49 to 9 and for Sn free sample. However, further decrease in the ratio lead to the appearance of additional SnO2 phase whose peak intensities were increased with the increase in the tin content. Irrespective of tin content, all samples showed red-shift in UV-vis spectra. Moreover, samples showed Raman shift to higher vibration side from 143 cm(-1) to 147 cm(-1) indicating the doping of Sn2+ into TiO2. By virtue of low band gap, anatase crystallite size and an absence of XRD visible SnO2, ST (19) has shown maximum photocatalytic activity upon 1 wt\% Pt loading. It has exhibited the highest rate (0.1264 mmole/g/h) for visible light induced hydrogen evolution by water splitting. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Semiconductors, Sn2+ doped titania, SnO2/TiO2, Sol-gel preparation, visible light, water splitting}, issn = {0167-577X}, doi = {10.1016/j.matlet.2016.02.055}, author = {Tangale, N. P. and Niphadkar, P. S. and Samuel, V. and Deshpande, Suvarna S. and Joshi, P. N. and Awate, S. V.} } @article {43435, title = {Synthesis of (+/-)-thia-calanolide A, its resolution and in vitro biological evaluation}, journal = {Arabian Journal of Chemistry}, volume = {9}, year = {2016}, month = {NOV}, pages = {S1597-S1602}, abstract = {A synthesis of (+/-)-thia-calanolide A 3 has been successfully accomplished starting from 3,5-dimethoxythiophenol 4, in six steps in an overall yield of 4.5\%. The key reaction involved Friedel-Crafts tigloylation of 5,7-dihydroxy-4-n-propyl thiocoumarin 6 employing an appropriate solvent of CS2-PhNO2 in a ratio of 7:3. In its biological evaluation for anti-HIV activity, (+/-)-thia-calanolide A 3 demonstrated comparatively less activity with calanolide A and its synthetic analogue aza-calanolide. Further, (+/-)-3 has been resolved by chiral HPLC to (+) and (-)-3. (C) 2012 Production and hosting by Elsevier B.V. on behalf of King Saud University.}, doi = {10.1016/j.arabjc.2012.04.027}, author = {Chopade, Anil U. and Chopade, Manojkumar U. and Chanda, Bhanu M. and Sawaikar, Dilip D. and Sonawane, Kiran B. and Gurjar, Mukund K.} } @article {45876, title = {Synthesis of tyrosyl-DNA phosphodiesterase i inhibitors}, journal = {Tetrahedron Letters}, volume = {57}, year = {2016}, month = {JUN}, pages = {2652-2654}, type = {Article}, abstract = {The first report for the synthesis of tyrosyl-DNA phosphodiesterase I inhibitors 3,4-dimethoxyphenol-1-β-d-(6'-O-galloyl)glucopyranoside 3 and 3-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol 2-β-d-(6'-O-galloyl) glucopyranoside 5 has been accomplished starting from readily available d-glucose as a starting material. An efficient and general approach has been reported for the synthesis of compounds 3 and 5 with an overall yield of 26\% and 27\%, respectively.}, doi = {10.1016/j.tetlet.2016.05.017}, author = {Nale, S. D. and Jadhav, V. H.} } @article { ISI:000380968200060, title = {Syringic acid: structural elucidation and co-crystallization}, journal = {Crystal Growth \& Design}, volume = {16}, number = {8}, year = {2016}, month = {AUG}, pages = {4679-4687}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Syringic acid (SYRA) is a potential antioxidant used in traditional Chinese medicine and is an emerging nutraceutical. Current reports claim its potential anti-angiogenic, anti-glycating, anti-hyperglycaemic, neuroprotective, and memory-enhancing properties in various animal models. To date, SYRA crystal structure has not been elucidated, and no crystal engineering studies have been reported. This study reports the crystal structure of SYRA for the first time along with its nicotinamide (SNCT-E) and urea (SU-EA-M) co-crystals. All forms were successfully characterized using single crystal X-ray diffraction (XRD), powder XRD, and differential scanning calorimetry. Single crystal analysis revealed that SYRA crystallized in the C2/c space group, whereas SNCT-E (2:1) and SU-EA-M (1:2) crystallized in the P21/n and Cmca space group, respectively. Novel co-crystals have shown improved solubility, modified dissolution profiles, and improved flow and compressibility. Cytotoxic effects were explored in DU145 prostate cancer cell lines for the first time, and significant enhancement in cytotoxicity by the co-crystals was observed compared to plain components. A two-fold increase in \% cytotoxicity of SNCT-E was observed when compared to the corresponding physical mixture. These studies shed light on potential utility of SYRA as a coformer for various pharmaceutical applications to design synergistic and organ-protective co-crystals.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.6b00750}, author = {Thipparaboina, Rajesh and Mittapalli, Sudhir and Thatikonda, Sowjanya and Nangia, Ashwini and Naidu, V. G. M. and Shastri, Nalini R.} } @article {43406, title = {Systematic evaluation of biophysical and functional characteristics of selenomethylene-locked nucleic acid-mediated inhibition of miR-21}, journal = {Biochemistry}, volume = {55}, year = {2016}, month = {DEC}, pages = {7023-7032}, abstract = {miRNAs constitute an important layer of gene regulation mediated by sequence-specific targeting of mRNAs. Aberrant expression of miRNAs contributes to a host of pathological states. Promoting cancer, miR-21 is upregulated in variety of cancers and promotes tumor progresion by suppressing a network of tumor suppressor genes. Here we describe a novel class of bicyclic RNA analogues, selenomethylene-locked nucleic acid (SeLNA), that display high affinity, improved metabolic stability, and increased potency for miR-21 inhibition. The thermal stability (T-m) for duplexes was increased significantly with incorporation of SeLNA monomers as compared to that of the unmodified DNA RNA hybrid. A comprehensive thermodynamic profile obtained by isothermal titration calorimetry revealed a favorable increase in the enthalpy of hybridization for SeLNA containing DNA and target RNA heteroduplexes. SeLNA modifications displayed remarkable binding affinity for miR-21 target RNA with a K-a of <= 1.05 x 10(8) M-1. We also observed enhanced serum stability for SeLNA RNA duplexes with a half-life of <= 36 h. These in vitro results were well correlated with the antisense activity in cancer cells imparting up to similar to 91\% inhibition of miR-21. The functional impact of SeLNA modifications on miR-21 inhibition was further gauged by investigating the migration and invasion characterisitics of cancer cells, which were drastically reduced to similar to 49 and similar to 55\%, respectively, with SeLNA having four such modifications. Our findings demonstrate SeLNA as a promising candidate for therapeutics for disease associated miRNAs.}, doi = {10.1021/acs.biochem.6b00895}, author = {Nahar, Smita and Singh, Amrita and Morihiro, Kunihiko and Moai, Yoshihiro and Kodama, Tetsuya and Obika, Satoshi and Maiti, Souvik} } @article {43919, title = {Salts and cocrystals of furosemide with pyridines: differences in π-Stacking and color polymorphism}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {JUN}, pages = {3071{\textendash}3087}, type = {Article}, abstract = {

Furosemide (FS), a loop diuretic drug that has a potential to exhibit polymorphism, produced color polymorphs of orange (form 1I) and yellow (form 1II) concomitantly with coformer 1, 2-bis(4-pyridyl)ethylene. However, cocrystallization of FS with other pyridines yielded colorless salts (2 and 4) and cocrystals (3 and 5). The significant color difference between the two polymorphs (forms 1I and 1II) could be attributed to the dissimilar π-stacking patterns between the two components and differences in their highest occupied molecular orbital-lowest unoccupied molecular orbital gap. The molecular packing of form 1I and 2 is very similar, but 2 is colorless due to lack of extended π-conjugation.

}, doi = {10.1021/acs.cgd.6b01868}, author = {Sangtani, Ekta and Mandal, Suman Kumar and Sreelakshmi, A. S. and Munshi, Parthapratim and Gonnade, Rajesh G.} } @article {43934, title = {Scalable metabolite supplementation strategy against antibiotic resistant pathogen Chromobacterium violaceum induced by NAD(+)/NADH(+) imbalanceA scalable metabolite supplementation strategy against antibiotic resistant pathogen Chromobacterium violaceu}, journal = {BMC Syst Biol. }, volume = {11}, year = {2017}, month = {APR}, abstract = {

BACKGROUND: The leading edge of the global problem of antibiotic resistance necessitates novel therapeutic strategies. This study develops a novel systems biology driven approach for killing antibiotic resistant pathogens using benign metabolites. RESULTS: Controlled laboratory evolutions established chloramphenicol and streptomycin resistant pathogens of Chromobacterium. These resistant pathogens showed higher growth rates and required higher lethal doses of antibiotic. Growth and viability testing identified malate, maleate, succinate, pyruvate and oxoadipate as resensitising agents for antibiotic therapy. Resistant genes were catalogued through whole genome sequencing. Intracellular metabolomic profiling identified violacein as a potential biomarker for resistance. The temporal variance of metabolites captured the linearized dynamics around the steady state and correlated to growth rate. A constraints-based flux balance model of the core metabolism was used to predict the metabolic basis of antibiotic susceptibility and resistance. CONCLUSIONS: The model predicts electron imbalance and skewed NAD/NADH ratios as a result of antibiotics - chloramphenicol and streptomycin. The resistant pathogen rewired its metabolic networks to compensate for disruption of redox homeostasis. We foresee the utility of such scalable workflows in identifying metabolites for clinical isolates as inevitable solutions to mitigate antibiotic resistance.

}, keywords = {Antibiotic resistance; Flux balance analysis; Flux variability analysis; Metabolism; Metabolomic; NAD; NADH; Redox homeostasis}, doi = {10.1186/s12918-017-0427-z}, author = {Banerjee, Deepanwita and Parmar, Dharmeshkumar and Bhattacharya, Nivedita and Ghanate, Avinash D. and Panchagnula, Venkateswarlu and Raghunathan, Anu} } @article {43726, title = {Secondary interactions arrest the hemiaminal intermediate to invert the modus operandi of schiff base reaction: a route to benzoxazinones}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {APR}, pages = {4342-4351}, type = {Article}, abstract = {Discovered by Hugo Schiff, condensation between amine and aldehyde represents one of the most ubiquitous reactions in chemistry. This classical reaction is widely used to manufacture pharmaceuticals and fine chemicals. However, the rapid and reversible formation of Schiff base prohibits formation of alternative products, of which benzoxazinones are an important class. Therefore, manipulating the reactivity of two partners to invert the course of this reaction is an elusive target. Presented here is a synthetic strategy that regulates the sequence of Schiff base reaction via weak secondary interactions. Guided by the computational models, reaction between 2,3,4,5,6-pentafluoro-benzaldehyde with 2-amino-6methylbenzoic acid revealed quantitative (99\%) formation of 5-methyl-2-(perfluoropheny01,2-dihydro-4H-benzo[d][1,3]oxazin-4-one (15). Electron donating and electron withdrawing ortho-substituents on 2-aminobenzoic acid resulted in the production of benzoxazinones 936. The mode of action was tracked using low temperature NMR, IN vis spectroscopy, and isotopic (O-18) labeling experiments. These spectroscopic mechanistic investigations revealed that the hemiaminal intermediate is arrested by the hydrogen-bonding motif to yield benzoxazinone. Thus, the mechanistic investigations and DFT calculations categorically rule out the possibility of in situ imine formation followed by ring-closing, but support instead hydrogen-bond assisted ring-closing to prodrugs. This unprecedented reaction represents an interesting and competitive alternative to metal catalyzed and classical methods of preparing benzoxazinone.}, doi = {10.1021/acs.joc.7b00352}, author = {Patel, Ketan and Deshmukh, Satej S. and Bodkhe, Dnyaneshwar and Mane, Manoj and Vanka, Kumar and Shinde, Dinesh and Rajamohanan, Pattuparambil R. and Nandi, Shyamapada and Vaidhyanathan, Ramanathan and Chikkali, Samir H.} } @article {43652, title = {Selection of reference genes for quantitative real-time RT-PCR assays in different morphological forms of dimorphic zygomycetous fungus Benjaminiella poitrasii}, journal = {Plos One}, volume = {12}, year = {2017}, month = {JUN}, pages = {Article Number: e0179454}, abstract = {

Benjaminiella poitrasii, a dimorphic non-pathogenic zygomycetous fungus, exhibits a morphological yeast (Y) to hypha (H) reversible transition in the vegetative phase, sporangiospores (S) in the asexual phase and zygospores (Z) in the sexual phase. To study the gene expression across these diverse morphological forms, suitable reference genes are required. In the present study, 13 genes viz. ACT, 18S rRNA, eEF1a, eEF-Tu, eIF-1A, Tuba, Tub-b, Ubc, GAPDH, Try, WS-21, NADGDH and NADPGDH were evaluated for their potential as a reference, particularly for studying gene expression during the Y-H reversible transition and also for other asexual and sexual life stages of B. poitrasii. Analysis of RT-qPCR data using geNorm, normFinder and BestKeeper software revealed that genes such as Ubc, 18S rRNA and WS-21 were expressed at constant levels in each given subset of RNA samples from all the morphological phases of B. poitrasii. Therefore, these reference genes can be used to elucidate the role of morpho-genes in B. poitrasii. Further, use of the two most stably expressed genes (Ubc and WS-21) to normalize the expression of the ornithine decarboxylase gene (Bpodc) in different morphological forms of B. poitrasii, generated more reliable results, indicating that our selection of reference genes was appropriate.

}, doi = {10.1371/journal.pone.0179454}, author = {Pathan, Ejaj K. and Ghormade, Vandana and Deshpande, Mukund V.} } @article {43966, title = {Selective and reusable Pt-WO x /Al 2 O 3 catalyst for deoxygenation of fatty acids and their esters to diesel-range hydrocarbons}, journal = {Catalysis Today}, volume = {309}, year = {2017}, month = {JUN}, pages = {219-226}, type = {Article}, abstract = {Tungsten oxide promoted platinum catalysts (Pt-WOx/Al2O3) of varying composition were prepared by wet impregnation method and reduced in hydrogen atmosphere. X-ray powder diffraction and photoelectron spectroscopy revealed that Pt is completely reduced to metallic state while tungsten is in +6 and +5 oxidation state. Pt crystallite and particle sizes increased (from 1.2 to 1.4 nm and 2.5 to 3 nm, respectively) in presence of WOx (CO-chemisorption and transmission electron microscopy). Tungsten addition augmented strong acid sites. It enhanced significantly the catalytic activity of Pt/Al2O3 in deoxygenation of fatty acids and their methyl esters. Tungsten altered the reaction pathway from decarbonylation/decarboxylation to hydrodeoxygenation. A catalyst with 4 wt\% Pt and 8 wt\% W exhibited high catalytic performance. Complete conversion of oleic acid and octadecane product selectivity in the range 67.1 - 80.8\% was obtained. Pt-WOx/Al2O3 is a stable and reusable fatty acid deoxygenation catalyst.}, keywords = {biofuels, Deoxygenation, Diesel-range hydrocarbons, Fatty acids, Pt catalyst}, issn = {0920-5861}, doi = {10.1016/j.cattod.2017.06.030}, author = {Janampelli, Sagar and Srinivas, Darbha} } @article {43997, title = {Selective C-H bond oxidation catalyzed by the Fe-bTAML complex: mechanistic implications}, journal = {Inorganic Chemistry}, volume = {56}, year = {2017}, month = {SEP}, pages = {10852-10860}, type = {Journal Article}, abstract = {Nonheme iron complexes bearing tetradentate N-atom-donor ligands with cis labile sites show great promise for chemoselective aliphatic C-H hydroxylation. However, several challenges still limit their widespread application. We report a mechanism-guided development of a peroxidase mimicking iron complex based on the bTAML macrocyclic ligand framework (Fe-bTAML: biuret-modified tetraamido macrocyclic ligand) as a catalyst to perform selective oxidation of unactivated 3{\textdegree} bonds with unprecedented regioselectivity (3{\textdegree}:2{\textdegree} of 110:1 for adamantane oxidation), high stereoretention (99\%), and turnover numbers (TONs) up to 300 using mCPBA as the oxidant. Ligand decomposition pathways involving acid-induced demetalation were identified, and this led to the development of more robust and efficient Fe-bTAML complexes that catalyzed chemoselective C-H oxidation. Mechanistic studies, which include correlation of the product formed with the FeV(O) reactive intermediates generated during the reaction, indicate that the major pathway involves the cleavage of C-H bonds by FeV(O). When these oxidations were performed in the presence of air, the yield of the oxidized product doubled, but the stereoretention remained unchanged. On the basis of 18O labeling and other mechanistic studies, we propose a mechanism that involves the dual activation of mCPBA and O2 by Fe-bTAML, leading to formation of the FeV(O) intermediate. This high-valent iron oxo remains the active intermediate for most of the reaction, resulting in high regio- and stereoselectivity during product formation. }, doi = {10.1021/acs.inorgchem.7b00453}, author = {Ghosh, M.}, editor = {Pattanayak, S.} } @article {44144, title = {Selective isolation and eradication of E. coli associated with urinary tract infections using anti-fimbrial modified magnetic reduced graphene oxide nanoheaters}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {OCT}, pages = { 8133-8142}, type = {Article}, abstract = {The fast and efficient elimination of pathogenic bacteria from water, food or biological samples such as blood remains a challenging task. Magnetic isolation of bacteria from complex media holds particular promise for water disinfection and other biotechnological applications employing bacteria. When it comes to infectious diseases such as urinary tract infections, the selective removal of the pathogenic species in complex media such as human serum is also of importance. This issue can only be accomplished by adding pathogen specific targeting sites onto the magnetic nanostructures. In this work, we investigate the potential of 2-nitrodopamine modified magnetic particles anchored on reduced graphene oxide (rGO) nanocomposites for rapid capture and efficient elimination of E. coli associated with urinary tract infections (UTIs) from water and serum samples. An optimized magnetic nanocarrier achieves a 99.9\% capture efficiency even at E. coli concentrations of 1 x 10(1) cfu mL(-1) in 30 min. In addition, functionalization of the nanostructures with poly(ethylene glycol) modified pyrene units and anti-fimbrial E. coli antibodies allowed specific elimination of E. coli UTI89 from serum samples. Irradiation of the E. coli loaded nanocomposite with a near-infrared laser results in the total ablation of the captured pathogens. This method can be flexibly modified for any other pathogenic bacteria, depending on the antibodies used, and might be an interesting alternative material for a magnetic-based body fluid purification approach.}, doi = {10.1039/c7tb01890h}, author = {Halouane, Fatima and Jijie, Roxana and Meziane, Dalila and Li, Chengnan and Singh, Santosh K. and Bouckaert, Julie and Jurazek, Jean and Kurungot, Sreekumar and Barras, Alexandre and Li, Musen and Boukherroub, Rabah and Szunerits, Sabine} } @article {43995, title = {Selective molecular separation by interfacially crystallized covalent organic framework thin films}, journal = {Journal of the American Chemical Society}, volume = {139}, year = {2017}, month = {SEP}, pages = {13083-13091}, type = {Journal Article}, abstract = {Exponential interest in the field of covalent organic frameworks (COFs) stems from the direct correlation between their modular design principle and various interesting properties. However, existing synthetic approaches to realize this goal mainly result in insoluble and unprocessable powders, which severely restrict their widespread applicability. Therefore, developing a methodology for easy fabrication of these materials remains an alluring goal and a much desired objective. Herein, we have demonstrated a bottom-up interfacial crystallization strategy to fabricate these microcrystalline powders as large-scale thin films under ambient conditions. This unique design principle exploits liquid-liquid interface as a platform, allowing simultaneous control over crystallization and morphology of the framework structure. The thin films are grown without any support in free-standing form and can be transferred onto any desirable substrate. The porous (with Tp-Bpy showing highest SBET of 1a151 m2 g-1) and crystalline thin films, having high chemical as well as thermal stability, also hold the merit to tune the thickness as low as sub-100 nm. These nanostructured thin COF films demonstrate remarkable solvent-permeance and solute-rejection performance. A prominent instance is the Tp-Bpy thin film, which displays an unprecedented acetonitrile permeance of 339 L m-2 h-1 bar-1.}, doi = { 10.1021/jacs.7b06640}, author = {Dey, K. and Das, A and Mukherjee, R. and Kharul, U. K. and Banerjee, R.}, editor = {Pal, M.} } @article {45656, title = {Selective molecular sieving in self-Standing porous covalent-Organic-framework membranes}, journal = {Advanced Materials}, volume = {2}, year = {2017}, month = {JAN}, type = {Article}, abstract = {Self-standing, flexible, continuous, and crack-free covalent-organic-framework membranes (COMs) are fabricated via a simple, scalable, and highly cost-effective methodology. The COMs show long-term durability, recyclability, and retain their structural integrity in water, organic solvents, and mineral acids. COMs are successfully used in challenging separation applications and recovery of valuable active pharmaceutical ingredients from organic solvents.}, doi = {10.1002/adma.201603945}, author = {Kandambeth, S. and Biswal, B. P. and Chaudhari, H. D. and Rout, K. C. and Kunjattu, H. S. and Mitra, S. and Karak, S. and Das, A. and Mukherjee, R. and Kharul, U. K. and Banerjee, R.} } @article {45741, title = {Selective self-etherification of 5-(hydroxymethyl) furfural over Sn-Mont catalyst}, journal = {Catalysis Communications}, volume = {88}, year = {2017}, month = {JAN}, pages = {77-80}, type = {Article}, abstract = {Sn-Mont was found to be a highly efficient catalyst for self-etherification of 5-(hydroxymethyl)furfural (HMF) to give 5,5{\textquoteright}-oxy(bis-methylene)-2-furaldehyde (OBMF). L-B acidity of Sn(OH)(4) species enwrapped into the layers of montmorillonite was responsible for the excellent activity of Sn-Mont catalyst giving almost complete conversion of HMF with 98\% selectivity to OBMF. Aprotic non-polar, dichloroethane was most effective solvent due to the facile formation of oxonium ion mediating etherification reaction. The catalyst showed suitable recyclability confirming its appreciable hydrolytic stability in water, and retention of its acidity. }, doi = { 10.1016/j.catcom.2016.09.034}, author = {Shinde, S and Rode, C} } @article {45762, title = {Selective synthesis of WO3 and W18O49 nanostructures: ligand-free pH-dependent morphology-controlled self-assembly of hierarchical architectures from 1D nanostructure and sunlight-driven photocatalytic degradation}, journal = {CrystEngComm}, volume = {19}, year = {2017}, month = {APR }, pages = {2096-2105}, type = {Article}, abstract = {

In this study, simple inorganic routes for the synthesis of WO3 and W18O49 nanostructures with variable size and self-assembly are reported. The morphologies and formation of stoichiometric WO3 as well as substoichiometric W18O49 single-crystal phase could be controlled by changing the pH of the reactions medium. This synthesis strategy has the advantages that it is one step, aqueous medium-based, and requires no surfactant or stabilizing agent. Furthermore, it also enables the self-assembly of 1D nanorods of WO3 and W18O49 into hierarchical nanostructures as nanorods bundles, cocoons, urchins, fishbones, etc. This synthesis method may open up a new way to control and tune the stoichiometric and substoichiometric composition of metal oxide nanostructures. Efficient sunlight-driven photocatalytic performance to degrade Rhodamine B (100 mL; 40 mg L-1.) with these tungsten oxide nanostructures was also demonstrated.

}, issn = {1466-8033}, doi = {10.1039/c6ce02518h}, author = {Shirke, Yogita Manikrao and Mukherjee, Shatabdi Porel} } @article {42660, title = {Self - assemblies of bolaamphiphilic molecules}, journal = {Chemical Record}, volume = {17}, year = {2017}, month = {NOV}, pages = {1-15}, type = {Article}, chapter = {597-610}, abstract = {

The current buzzword in science and technology is self-assembly and molecular self-assembly is one of the most prominent fields as far as research in chemical and biological sciences is concerned. Generally, self-assembly of molecules occurs through weak non-covalent interactions like hydrogen bonding, π{\textendash}π stacking, hydrophobic effects, etc. Inspired by many natural systems consisting of self-assembled structures, scientists have been trying to understand their formation and mimic such processes in the laboratory to create functional {\textquotedblleft}smart{\textquotedblright} materials, which respond to temperature, light, pH, electromagnetic field, mechanical stress, and/or chemical stimuli. These responses are usually manifested as remarkable changes from the molecular (e. g., conformational state, hierarchical order) to the macroscopic level (e. g., shape, surface properties). Many molecules such as peptides, viruses, and surfactants are known to self-assemble into different structures. Among them, glycolipids are the new entries in the area of molecules that are being investigated for their self-assembly characteristics. Among the different classes of glycolipids like rhamnolipids and trehalose lipids, owing to their biological preparations and their structural novelty, sophorolipids (SLs) are evoking greater interest among researchers. Sophorolipids are a class of asymmetric bolas bearing COOH groups at one end and sophorose (dimeric glucose linked by an unusual β(1{\textrightarrow}2) linkage). The extreme membrane stability of Archaea, attributed to the membrane-spanning bolas (tetraether glycolipids), has inspired chemists to unravel the molecular designs that underpin the self-assembly of bolaamphiphilic molecules. Apart from these self-assembled structures, bolaamphiphiles find applications in many fields such as drug delivery, membrane mimicking, siRNA therapies, etc. The first part of this Personal Account presents some possible self-assembled structures of bolaamphiphiles and their mechanism of formation. The later part covers our work on one of the typical bolaamphiphiles known as sophorolipids.

}, keywords = {Bolaamphiphiles; gels; self-assembly; sophorolipids; vesicles}, issn = {1527-8999}, doi = {10.1002/tcr.201600085}, author = {Dhasaiyan, Prabhu and Bhagavatula L. V. Prasad} } @article {44128, title = {Self-assembled spheres, flowers, and fibers from the same backbone and similar side chains}, journal = {Langmuir}, volume = {33}, year = {2017}, month = {NOV}, pages = {13401-13406}, type = {Article}, abstract = {Rylene imides (Ms) self-assemble into various nanostructures. Often, the synthesis of unsymmetrical RIs (URIs) is required to achieve nanostructures. However, the synthesis of URIs is nontrivial. Thus, a structurally similar alternative is desirable. iso-Indigo (i-indigo) has a pi core and lactam rings that are structurally similar to the RIs. Unsymmetrical iso-indigo (i-indigo) can be easily synthesized by condensing oxindole and isatin. We have synthesized a series of unsymmetrical i-indigo molecules. In these molecules, the pi-pi interaction, hydrogen bonding, and van der Waals interactions are in operation. Because of these, the molecules self-assemble into spheres, fibers, and dahlia flower morphologies. If the hydrogen bonding interaction is disrupted, then all of them form fibers. Control experiments indicate that the complete absence of hydrogen bonding is deleterious to self-assembly. We also show that the lower analogs of i-indigo are not sufficient to form self-assembled nanostructures.}, doi = {10.1021/acs.langmuir.7b02728}, author = {Singh, Anup Kumar and Krishnamoorthy, Kothandam} } @article {44406, title = {Self-assembly of fluorinated sugar amino acid derived alpha,gamma-cyclic peptides into transmembrane anion transport}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {NOV}, pages = {5948-5951}, abstract = {Syntheses of fluorinated sugar amino acid derived alpha,gamma-cyclic tetra- and hexapeptides are reported. The IR, NMR, ESI-MS, CD, and molecular modeling studies of cyclic tetra- and hexapeptides showed C-2 and C-3 symmetric flat oval- and triangular-ring shaped, beta-strand conformations, respectively, which appear to self assemble into nanotubes. The alpha,gamma-cyclic hexapeptide (EC50 = 2.14 mu M) is found to be a more efficient ion transporter than alpha,gamma-cyclic tetrapeptide (EC50 = 14.75 mu M). The anion selectivity and recognition of alpha,gamma-cyclic hexapeptide with NO3- ion is investigated.}, doi = {10.1021/acs.orglett.7b02942}, author = {Burade, Sachin S. and Saha, Tanmoy and Bhuma, Naresh and Kumbhar, Navanath and Kotmale, Amol and Rajamohanan, Pattuparambil R. and Gonnade, Rajesh G. and Talukdar, Pinaki and Dhavale, Dilip D.} } @article {44143, title = { Self-assembly of P-chiral supramolecular phosphines on rhodium and direct evidence for Rh-catalyst-substrate interactions}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {OCT}, pages = {13966-13973}, type = {Article}, abstract = {Supramolecular phosphine-derived catalysts are known to provide high enantioselectivity in asymmetric transformations such as hydrogenation, but direct evidence unravelling the role of secondary interactions is largely missing. As a representative case study, the role of hydrogen bonding in asymmetric hydrogenation catalysed by p-chiral supramolecular phosphines is investigated. To establish the nature of hydrogen bonding in the self-assembled Rh-complex, NMR experiments were performed at different concentrations and temperatures. It was found that with increasing concentration of 1-(3-(phenyl(o-tolyl)phosphanyl) phenyl) urea ligand (L1), the NH and NH2 peaks shift downfield. This indicated the presence of intermolecular hydrogen bonding in L1. This observation was further supported by variable temperature NMR experiments wherein, with decreasing temperature, the NH and NH2 resonances of L1 shifted downfield. The downfield shift once again suggests the existence of intermolecular hydrogen bonding in L1. In contrast, the chemical shift of NH and NH2 signals did not significantly change with increasing concentration of the self-assembled Rh-complex (C1). This observation suggested the existence of intramolecular hydrogen bonding in the self-assembled complex. The concentration experiment was further corroborated by variable temperature NMR experiments. No change in the chemical shift of NH2 resonance could be detected with decreasing temperature, which corroborates the existence of intramolecular hydrogen bonding in C1. In a stoichiometric experiment, C1 was treated with hydrogenation substrate N-acetyldehydrophenylalanine (S2) and the proton NMR was recorded. The NH2 protons of the selfassembled Rh-complex were found to shift downfield, as compared to untreated parent C1. These observations indicated that there is a hydrogen bonding interaction between the Rh-complex and the substrate. To further attest this hypothesis, NH and NH2 groups were exchanged with ND and ND2 groups, respectively, and a self-assembled Rh-complex was prepared using the deuterated supramolecular phosphine ligand L1.D. When the deuterated Rh-complex (C1.D) was treated with substrate S2, the ND and ND2 resonances were found to shift downfield. Thus, the labelling experiment further authenticated the existence of catalyst-substrate interactions. The presence of this catalyst-substrate interaction could be one of the parameters that leads to high enantiomeric excess in the asymmetric hydrogenation reaction of S2.}, doi = {10.1039/c7dt02923c}, author = {Koshti, Vijay S. and Sen, Anirban and Shinde, Dinesh and Chikkali, Samir H.} } @article { ISI:000371453700057, title = {Self-exfoliated guanidinium-based ionic covalent organic nanosheets (iCONs)}, journal = {Journal of the American Chemical Society}, volume = {138}, number = {8}, year = {2017}, month = {MAR}, pages = {2823-2828}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Covalent organic nanosheets (CONs) have emerged as functional two-dimensional materials for versatile applications. Although pi-pi stacking between layers, hydrolytic instability, possible restacking prevents their exfoliation on to few thin layered CONs from crystalline porous polymers. We anticipated rational designing of a structure by intrinsic ionic linker could be the solution to produce self-exfoliated CONs without external stimuli. In an attempt to address this issue, we have synthesized three self-exfoliated guanidinium halide based ionic covalent organic nanosheets (iCONs) with antimicrobial property. Self-exfoliation phenomenon has been supported by molecular dynamics (MD) simulation as well. Intrinsic ionic guanidinium unit plays the pivotal role for both self-exfoliation and antibacterial property against both Gram-positive and Gram-negative bacteria. Using such iCONs, we have devised a Mixed matrix membrane which could be useful for antimicrobial coatings with plausible medical benefits.

}, issn = {0002-7863}, doi = {10.1021/jacs.5b13533}, author = {Mitra, Shouvik and Kandambeth, Sharath and Biswal, Bishnu P. and Khayum, Abdul M. and Choudhury, Chandan Kumar and Mehta, Mihir R. and Kaur, Gagandeep and Banerjee, Subhrashis and Prabhune, Asmita and Verma, Sandeep and Roy, Sudip and Kharul, Ulhas K. and Banerjee, Rahul} } @article {43784, title = {Significance of optimal N-doping in mesoporous carbon framework to achieve high specific capacitance}, journal = {Applied Surface Science}, volume = {418}, year = {2017}, month = {OCT}, pages = {40-48}, type = {Article}, abstract = {Nitrogen-doped mesoporous carbon (NMC) has been synthesized by sol-gel process using a mixture of phenol and formaldehyde as source of carbon, and melamine as source of nitrogen. The Ludox-AS40 (40 wt\% SiO2) is employed, for the first time, as hard template to obtain polymeric gel by prolonged heat treatment at 80 degrees C. The wt\% of nitrogen is tuned by varying the weight ratio of melamine to phenol. Stable mesoporous carbon frameworks are obtained by pyrolysis of the dry gel at 800 degrees C in nitrogen atmosphere and treated with alkali to remove silica. One of the carbon framework samples has 11 wt\% nitrogen doping and shows pore volume of 0.5 cm(3) g(-1) and surface area 609 m(2) g(-1). The other carbon frame work sample has 6 wt\% nitrogen doping and shows higher pore volume of 1.1 cm(3) g(-1) and surface area 736 m(2) g(-1). The later sample exhibits highest electrochemical capacitance of 196 F g(-1) at 0.5 A g(-1) while the former shows only 146 F g(-1) at 0.5 A g(-1). However, both the NMC electrodes show good cyclic performance (91\% of the initial capacitance after 1000 cycles) in an aqueous KOH electrolyte. This study demonstrates that there is an optimum level of nitrogen doping required to keep the meso-structure of carbon network intact, simultaneously maintaining high surface area and sufficient electrical conductivity for electrochemical applications. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apsusc.2016.11.181}, author = {Sahoo, Malaya K. and Gogoi, Pranjal and Rajeshkhanna, G. and Chilukuri, Satyanarayana V. and Rao, G. Ranga} } @article {44035, title = {Silk degumming and utilization of silk sericin by hydrolysis using alkaline protease from beauveria Sp. (MTCC 5184): a green approach}, journal = {Journal of Natural Fibers}, volume = {15}, year = {2017}, month = {JUL}, pages = {1-11}, type = {Article}, abstract = {Conventionally, degumming is carried out at 90{\textdegree}C--110{\textdegree}C temperature by boiling the raw silk with Marseilles soap and sodium bicarbonate which eventually requires a lot of water and energy. In this study, degumming of Chinese bivoltine raw silk fibres with alkaline protease produced by Beauveria sp. (MTCC 5184) is studied. Complete degumming was obtained in 45 min with 75 units of enzyme per gram of silk. Degumming was found to be optimal at 50{\textdegree}C and pH 9.0. Scanning electron micrographs showed that the sericin deposits were removed and the obtained fibres were clean, separated, had smooth feel with shine as compared to untreated fibres. Sericin isolated from silk cocoon (by-product which goes waste) was hydrolyzed with the same alkaline protease obtained from Beauveria sp. to get small molecular weight peptides. These peptides can be utilized further for cosmetic, pharmaceutical, and various industrial applications.}, keywords = {Alkaline Protease, bivoltine, degumming, Silk, weight loss}, issn = {1544-0478}, doi = {10.1080/15440478.2017.1330718}, author = {More, Snehal V. and Chavan, Sakalya and Prabhune, Asmita Ashutosh} } @article {44571, title = {Silver sequestration of halides for the activation of Pd(OAc) 2 catalyzed Mizoroki-Heck reaction of 1,1 and 1,2 - Disubstituted alkenes: Ag Sequestration for Pd catalyzed Heck reaction- disubstituted alkenes}, journal = {Applied Organometallic Chemistry}, volume = {32}, year = {2017}, month = {NOV}, pages = {e4159}, abstract = {A ligand free catalytic system consisting of Pd(OAc)2 (cat) and stoichiometric quantities of silver salts, AgOAc or AgBF4, exhibit high efficiency in the Mizoroki-Heck arylation, transforming aryl iodides and 1,1 as well as 1,2 disubstituted alkenes into 1,1,2 {\textendash} trisubstituted aryl alkenes in excellent yields in very short reaction times.}, keywords = {1, 1-disubstituted alkenes, 2-disubstituted alkenes, AgBF4, AgOAc, Mizoroki-Heck reaction}, issn = {0268-2605}, doi = {10.1002/aoc.4159}, author = {Bangar, Pronnoy G. and Jawalkar, Priyanka R. and Dumbre, Swapnil and Patil, Dharmaraj and Iyer, Suresh} } @article {43894, title = {Simple cobalt(II) chloride catalyzed N-alkylation of amines with alcohols}, journal = {Synthesis-Stuttgart }, volume = {49}, year = {2017}, month = {SEP}, pages = {3957-3961}, type = {Journal Article}, chapter = {3957-3961}, abstract = {

A facile cobalt-catalyzed N-alkylation of amines with alcohols using inexpensive, commercially available CoCl2 center dot 6H(2)O is reported. Employing this readily available cobalt catalyst, a variety of amines with wide functional group tolerance were selectively alkylated under benign conditions.

}, keywords = {(Hetero)Aromatic Amines, Alcohols, Amination, amines, Anilines, Aromatic-amines, Cobalt Catalysis, Dehydrogenation Borrowing Hydrogen, Efficient Catalysts, Hydrogen Autotransfer, Iridium, N-alkylation, Pincer-complex, Secondary Alcohols, Selective Alkylation}, issn = {0039-7881}, doi = {10.1055/s-0036-1589064}, author = {Midya, Siba P. and Mondal, Akash and Begum, Ayesha and Balaraman, Ekambaram} } @article {45723, title = {Single cell fabrication towards the realistic evaluation of a CNT-strung ZIF-derived electrocatalyst as a cathode material in alkaline fuel cells and metal-air batteries}, journal = {ChemElectroChem}, volume = {4}, year = {2017}, month = {NOV}, pages = {2928-2933}, type = {Article}, abstract = {

The development of an electrocatalyst possessing all the vital requisites of an ideal electrode material, such as high porosity, high conductivity, and high intrinsic electrochemical activity, holds a decisive key in determining the activity of the triplephase boundary in many energy devices like fuel cells and metal-air battery systems. In the present work, highly porous cobalt-based ZIFs are strung along the highly conducive CNT backbone by using a simple one-pot technique at room temperature, which is then utilized to derive a porous, corrosion-resistant, Co nanoparticle-embedded electrocatalyst. Herein, for the first time, the single cell performance of the Co-ZIF-67-derived electrocatalyst has been evaluated by fabricating membrane electrode assemblies of alkaline exchange membrane fuel cell (AEMFC) and zinc-air battery (ZAB) systems. A maximum power density of 296 mW/cm(2) (vs. 317 mW/cm(2) for 40 wt.\% Pt/C) and 60 mW/cm(2) (vs. 64 mW/cm(2) for 40 wt.\% Pt/C) in the single cells of ZAB and AEMFC systems, respectively, establishes the practical proficiency of the homemade electrocatalyst for cathode applications during realistic system-level validations.

}, keywords = {Batteries, Carbon nanotubes, Composite materials, fuel cells, metal-organic frameworks}, issn = {2196-0216}, doi = {10.1002/celc.201700562}, author = {Aiyappa, Harshitha Barike and Bhange, Siddheshwar N. and Sivasankaran, Vijitha P. and Kurungot, Sreekumar} } @article {43863, title = {Size reduction of bulk alumina for mass production of fluorescent nanoalumina by fungus humicola sp.}, journal = {Journal of Cluster Science}, volume = {28}, year = {2017}, month = {JUL}, pages = {1981-1993}, type = {Article}, abstract = {In recent years, nanomaterials have made their way into hundreds of biomedical, life-sciences and technological applications. One such nanomaterial of extreme importance is nanoalumina (Al2O3 nanoparticles). This nanomaterial is an epitome of diversity with applications exhibited in the fields of catalysis, cosmetics, theranostics, energy generation, biosensors, drug-delivery, tumor-regression, etc. However, problems persist in terms of biocompatibility, cost-effectiveness, reproducibility and mass-production of nanoalumina by the presently existent physical, chemical and biological methodologies. Herein, we for the first time are presenting a top-down biofabrication method by which size reduction of commercial bulk alumina/aluminum oxide (5 A mu m) into nanoalumina (5-25 nm) is carried out by a thermophilic fungus Humicola sp. within 96 h of reaction at just 50 A degrees C. The so-formed nanoalumina is highly stable, water dispersible, fluorescent and natural protein capped; characterization engaged standard techniques. These nanoparticles exhibit anti-bacterial properties against Gram-positive Bacillus subtilis strain and may serve as broad spectrum bactericidal agents. We believe that our novel top-down approach may be extensively used in the facile, inexpensive, eco-friendly and reliable fabrication of abundant quantities of nanomaterials of different chemical compositions, sizes and shapes with better control and predictability over the properties as derived from their substrates. The mechanistic aspect of said protocol is underway.}, doi = {10.1007/s10876-017-1195-z}, author = {Moeez, Sana and Siddiqui, Ejaz Ahmad and Khan, Shadab and Ahmad, Absar} } @article {42924, title = {Solid base catalyzed depolymerization of lignin into low molecular weight products}, journal = {Green Chemistry}, volume = {19}, year = {2017}, month = {FEB}, pages = {778-788}, type = {Article}, abstract = {For the biorefinery concept to become commercially viable, it is essential to add value to lignin which is the only naturally available aromatic polymer. A one-pot depolymerization of lignin into reactive substituted phenolic compounds (platform chemicals and octane enhancers) with low molecular weight is of paramount importance and for that, the development of an environmentally benign method is necessary. Herein we report the depolymerization of high molecular weight lignin (60 000 Da) over various recyclable solid base catalysts at 250 degrees C over 1 h. Under these conditions, most of the zeolitic catalysts (NaX, NaY, NaP) showed very high yields of low molecular weight products compared to other catalysts (MgO, CaO, HT, HAP). But in particular, over NaX the maximum yield (51\%) of low molecular weight products was achieved. Identification and quantification of products was done by GC, GC-MS, HPLC, LC-MS, CHNS, NMR and FT-IR techniques. The revelation of retention of most of the functional groups on products present in lignin was confirmed by FT-IR studies. It is observed that the efficiencies of catalysts were dependent on pH, the cation, the type and concentration of basic sites, etc. A unique study on the product adsorption capacities on solids was done and it is recognized that as the strength of basic sites increases, adsorption enhances.}, doi = { 10.1039/c6gc02701f}, author = {Chaudhary, Richa and Dhepe, Paresh Laxmikant} } @conference {45710, title = {Solubility limits of ceria-zirconia-lanthana solid-solutions}, booktitle = {International Conference on Recent Trends in Engineering and Material Sciences (ICEMS)}, year = {2017}, month = {MAR}, publisher = {Elsevier Science BV, PO BOX 211, 1000 AE Amsterdam, Netherlands}, organization = {Elsevier Science BV, PO BOX 211, 1000 AE Amsterdam, Netherlands}, address = {Jaipur, India}, abstract = {

We demonstrate, the solubility limits of Ceria-Zirconia-Lanthana (CZLa) solid-solutions with the increase in heat-treatment temperature from 600 degrees C to 1300 degrees C. CZLa nano-crystalline samples were successfully synthesized by EDTA-Citrate complex method and were characterized by Raman Spectroscopy (RS) and Transmission Electron Microscopy (TEM) analysis. With an increase in temperature, it is noticed that the solubility limit is decreased in CZLa system. At 600 degrees C, a very good solubility is observed in CZLa system and is confirmed from RS analysis. At higher heat-treatment temperatures (1000 and 1300 degrees C), with an increase in La content, Zr precipitated in the CZLa system and is confirmed from RS analysis. The reason for such kind of behavior in this CZLa system is clearly explained in this work. (C) 2017 Elsevier Ltd. All rights reserved.

}, keywords = {Ceria-Zirconia Lanthana, EDTA-Citrate method, Raman spectroscopy, solubility limit, XRD}, author = {Abbas, Zenab and Surendran, Mythili and Anjana, P. A. and Jidev, P. K. and Dasari, Harshini and Naidu, Sudhakar N. and Anandhan, S. and Bhat, Udaya K. and Babu, Uday Bhaskar G. and Dasari, Hari Prasad} } @article {43895, title = {Solution processed cellulose/melanin films and fibres}, journal = {Green Materials }, volume = {5}, year = {2017}, month = {JUN}, type = {Article}, abstract = {Melanins constitute a class of biomacromolecules that are abundant in nature. Although they exhibit a unique range of physical and chemical properties, their intractable nature has precluded their dissolution in common solvents and facile processing into functional materials. The authors found that commercially available 40 wt\% tetrabutylammonium hydroxide (Tbah) solution could yield stable solutions of synthetic and natural melanins at ambient conditions and the dissolution rate could be accelerated by microwave radiation. Transmission electron microscopy images clearly show the disruption of the aggregated structure of melanins in Tbah. Scanning electron microscopy images of melanin/Tbah solutions precipitated in acetone revealed that melanins are dissolved and regenerated and not merely dispersed. To the best of the authors{\textquoteright} knowledge, this is the first report demonstrating a facile approach to solution processing melanins with other biopolymers, which allows leverage of many unique properties of melanins. As an illustrative example, the authors demonstrate here the successful fabrication of cellulose/melanin composite films and fibers and their significant dye absorption capacity (62\% reduction) with methylene blue.}, doi = {10.1680/jgrma.17.00003}, author = {Farsa, Ram and Pimpalkar, Nikhil and Shete, Abhijit P. and Shanmuganathan, Kadhiravan} } @article {43748, title = {Solvent-free glycerol transesterification with propylene carbonate to glycerol carbonate over a solid base catalyst}, journal = {Energy \& Fuels}, volume = {31}, year = {2017}, month = {APR}, pages = {4361-4371}, type = {Article}, abstract = {Glycerol transesterification using propylene carbonate (PC) to glycerol carbonate.(GC) could be efficiently performed under solvent-free {\textquoteright}conditions {\textquoteright}wing solid base as catalysts involving non-noble metal oxide in combination with hydrotalcites (HTs). Among all of the catalysts studied for transesterification, the best result was obtained over a calcium-doped hyclrotalcite (Ca-FIT) catalyst, giving 84\% conversion of glycerol and almost complete. GC selectivity. The crystal structure of HT was modified by incorporation of Ca and La into FIT, as revealed by X-ray diffraction studies. The temperature-programmed desorption of carbon dioxide study confirmed the presence of the highest basic site density in terms of 1.94 mmol of CO2 desorbed/g of catalyst, responsible for its higher transesterification efficiency of the Ca-HT catalyst. The Fourier transform infrared spectroscopy study showed peaks at 3036 and 3042 cm(-1) for Ca -HT and lanthanum-doped hydrotalcite (La -HT), respectively, confirming the presence of hydrogen bonding between water and interlayer carbonate anions responsible for abstracting proton from the primary hydroxyl group of glycerol to attack over carbonyl carbon of PC. The presence of intercalated carbonate ions is also confirmed by the Raman study, in both PIT and ca-HT catalysts and even after use of the Ca HT catalyst. The thermogravimetry-differential thermal analysis study evidenced the higher thermal stability of the Ca -HT (T-4 = 765 degrees C) catalyst than that of parent HT with a Mg/Al ratio of 3:1 (T4 = 630 degrees C). Various process conditions, such as the temperature, molar ratio of glycerol/PC, and catalyst loading, significantly influenced conversion and selectivity of glycerol: and GC, Tespectively.}, doi = {10.1021/acs.energyfuels.7b00034}, author = {Kondawar, Sharda and Rode, Chandrashekhar} } @article {43927, title = {Solvent-free synthesis of thiobarbituric acids using amberlyst-15 as a green catalyst}, journal = {Current Green Chemistry}, volume = {3}, year = {2017}, month = {OCT}, type = {Article}, doi = {10.2174/2213346104666170704115006}, author = {Dhonde, Madhukar G. and Gajbhiye, Jayant M. and Katiya, Manish M.} } @article {43892, title = {Sorption of metaldehyde using granular activated carbon}, journal = {Journal of Water Reuse and Desalination}, volume = {7}, year = {2017}, month = {SEP}, chapter = {280-287}, abstract = {

In this work, the ability of granular activated carbon (GAC) to sorb metaldehyde was evaluated. The kinetic data could be described by an intra-particle diffusion model, which indicated that the porosity of the sorbent strongly influenced the rate of sorption. The analysis of the equilibrium sorption data revealed that ionic strength and temperature did not play any significant role in the metaldehyde uptake. The sorption isotherms were successfully predicted by the Freundlich model. The GAC used in this paper exhibited a higher affinity and sorption capacity for metaldehyde with respect to other GACs studied in previous works, probably as a result of its higher specific surface area and high point of zero charge.

}, keywords = {Degradation, Diffusion-controlled Sorption, Environmental Pollution, Granular Activated Carbon, Metaldehyde, Sorption Adsorption}, issn = {2220-1319}, doi = {10.2166/wrd.2016.074}, author = {Salvestrini, S. and Vanore, P. and Bogush, A. and Mayadevi, S. and Campos, L. C.} } @inbook {45802, title = {Specific receptors and imaging reagents for certain heavy metal toxins}, booktitle = {Comprehensive supramolecular chemistry II}, volume = {8}, year = {2017}, pages = { 319-349}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, chapter = {Specific receptors and imaging reagents for certain heavy metal toxins}, abstract = {Among various elements, mercury (Hg) and palladium (Pd) are featured in all lists of heavy metal toxins. Mercury is xenobiotics and toxic even at trace levels of exposure either in elemental (if aerosolized) or in its two ionic forms (viz. Hg(I) and Hg(II)). Importantly, the most common oxidation state of mercury is Hg(II) and this has an appreciably high value for enthalpy of solvation in aqueous media. This fact along with a high spin-orbit coupling constant value are not conducive for designing efficient luminescence ON-based receptors for Hg(II), which are essential for either detection or imaging of such toxins inside the cells or in specific organs. Such sensors have significance in evaluating the influence of such toxins in human physiology as well as in clinical diagnostics. Analogously, Palladium (in oxidation states of 0, II, and IV) is commonly used as a catalyst for the synthesis of various drugs or active pharmaceutical intermediates. Despite best efforts in purification and elimination of palladium used in such reactions, residual concentrations of Pd are often higher than the permissible level set by the World Health Organization. The affinity of Pd toward thiol-containing amino acids, proteins, DNA, or other macromolecules is known to cause physiological disorders. All these necessitate the design and development of efficient imaging reagents that are specific toward a certain cationic analytes and allow for the real-time monitoring for assessing the adverse influences on human physiology. Recent advances in such reagents primarily for Hg(II), Pd(0), and Pd(II) are discussed.}, isbn = { 978-012803198-8}, issn = {978-012803199-5}, doi = {10.1016/B978-0-12-409547-2.12617-4}, author = {Anila, H. A. and Ali, F. and Das, A.} } @article {43885, title = {Spectroscopic and reactivity comparisons of a pair of bTAML complexes with Fe-V=O and Fe-IV=O units}, journal = {Inorganic Chemistry}, volume = {56}, year = {2017}, month = {JUN}, pages = {6352-6361}, type = {Article}, abstract = {In this report we compare the geometric and electronic structures and reactivities of [Fe-V(O)](-) and [Fe-IV(O)](2-) species supported by the same ancillary nonheme biuret tetraamido macrocyclic ligand (bTAML). Resonance Raman studies show that the Fe-O vibration of the [Fe-IV(O)](2-) complex 2 is at 798 cm(-1), compared to 862 cm(-1) for the corresponding [Fe-V(O)](-) species 3, a 64 cm(-1) frequency difference reasonably reproduced by density functional theory calculations. These values are, respectively, the lowest and the highest frequencies observed thus far for nonheme high-valent Fe-O complexes. Extended X-ray absorption fine structure analysis of 3 reveals an Fe-O bond length of 1.59 angstrom, which is 0.05 angstrom shorter than that found in complex 2. The redox potentials of 2 and 3 are 0.44 V (measured at pH 12) and 1.19 V (measured at pH 7) versus normal hydrogen electrode, respectively, corresponding to the [Fe-IV(O)](2-)/[Fe-III(OH)](2-) and [Fe-V(O)](-)/[Fe-IV(O)](2-) couples. Consistent with its higher potential (even after correcting for the pH difference), 3 oxidizes benzyl alcohol at pH 7 with a second-order rate constant that is 2500-fold bigger than that for 2 at pH 12. Furthermore, 2 exhibits a classical kinteic isotope effect (KIE) of 3 in the oxidation of benzyl alcohol to benzaldehyde versus a nonclassical KIE of 12 for 3, emphasizing the reactivity differences between 2 and 3.}, doi = {10.1021/acs.inorgchem.7b00448}, author = {Pattanayak, Santanu and Jasniewsk, Andrew J. and Rana, Atanu and Draksharapu, Apparao and Singh, Kundan K. and Weitz, Andrew and Hendrich, Michael and Que, Lawrence, Jr. and Dey, Abhishek and Sen Gupta, Sayam} } @article {45689, title = {Stability studies of cuticle degrading and mycolytic enzymes of myrothecium verrucaria for control of insect pests and fungal phytopathogens}, journal = {Indian Journal of Biotechnology}, volume = {16 }, year = {2017}, month = {JUN}, pages = {404-412}, type = {Article}, abstract = {Myrothecium verrucaria produced extracellularly hydrolytic enzymes which can hydrolyse the insect cuticle as well as fungal cell wall. The addition of polyols, such as glycerol, sorbitol, xylitol (1 M) during ultra -filtration or freeze- drying of enzyme mixture increased the recovery of the enzymes in a concentrated form. Polyols (5 M) increased the temperature and pH stability of the enzymes, in the presence of glycerol chitinase, beta-1,3-glucanase, lipase and protease retained 50-60\% of initial activities at 40 degrees C after 3 h. While xylitol (5 M) was effective in stabilizing activities at pH 5.0 and 7.5 at 25 degrees C for 7 d. In the freeze-dried powder form, > 90\% at 4 degrees C for 1 year and 80-85\% at 25 degrees C for 2 months enzyme activities were retained. The addition of glycerol (1 M) to the enzyme mixture protected enzyme activities under sunlight (60-65\% activity at RT) for 5 d. Because of glycerol (1 M), the efficacy of M verrucaria enzyme preparation to control Helicoverpa armigera infestation in chick pea was increased to 70 +/- 19\%. While without glycerol the efficacy was 55 +/- 23\%. The germination of peanut seeds infected with Sclerotium rolfsii was observed to be increased (70 +/- 5\%) in a pot irrigated with enzyme mixture.}, author = {Chavan, S. B and Vidhate, R. P. and Kallure, G. S. and Dandawate, N. L. and Khire, J. M. and Deshpande, M. V.} } @article {43917, title = {Stabilization of γ-sterilized low-density polyethylene by synergistic mixtures of food-contact approval stabilizers}, journal = {International Journal of Industrial Chemistry}, volume = {8}, year = {2017}, month = {JUN}, pages = {145{\textendash}156}, abstract = {In our previous studies, we have found the synergistic combinations of stabilizers which follow different mechanisms of stabilization and are approved for food contact applications. The present attempt is to test the potentials of those systems in stabilizing γ-sterilized low-density polyethylene (LDPE). The results were discussed by comparing the stabilizing efficiency of mixtures with and without phenol systems as well as with their counterparts of isotactic polypropylene (iPP) and ethylene-propylene copolymers (EP) matrices. LDPE has been melt-mixed with tertiary hindered amine stabilizer (tert-HAS), oligomeric HAS stabilizer, phenolic and organo-phosphite antioxidants and subjected to γ-sterilization. Stabilization in terms of changes in oxidation products, tensile properties, yellowing and surface morphology was evaluated by FT-IR spectroscopy, Instron, colorimetry, and scanning electron microscopy (SEM), respectively. The results of the present study confirm the validity of those systems for protecting various polyolefins against γ-sterilization. The results showed that the synergism, antagonism and the trend in stabilization efficiency of the binary, ternary and quaternary stabilizer systems were almost similar in LDPE, iPP and EP matrices. The binary system of oligomeric HAS and tert-HAS has shown the antagonistic effect of stabilization, whereas their combination with organo-phosphite has exhibited synergistic effect even at higher doses of γ-sterilization. The combination of oligomeric HAS, tert-HAS, organo-phosphite and hindered phenol exhibited improved stabilization efficiency than single or binary additive systems. The phenol systems have shown long term of stability than that of phenol-free systems. It was found that the consumption of oligomeric stabilizer significantly depends on the components of stabilization mixture. It was concluded that the stability of polyolefins (LDPE, iPP and EP) against γ-sterilization can be achieved by blends of different stabilizers which are approved for food contact applications.}, doi = {10.1007/s40090-017-0117-0}, author = {Alariqi, Sameh A. S. and Al-Areqi, Niyazi A. S. and Alaghbari, Elyas Sadeq and Singh, Raj Pal} } @inbook {44022, title = {Step-growth polymers from cashew nut shell liquid (CNSL)-based aromatic difunctional monomers}, booktitle = {Cashew Nut Shell Liquid}, year = {2017}, pages = {163-214}, abstract = {

Cashew nut shell liquid (CNSL) is an attractive renewable resource material which is available in abundance (44,50,000 tonnes worldwide and 7,53,000 tonnes in India in 2013) at low cost (around 0.27 $/kg in 2015) and is mainly composed of anacardic acid, cardanol, cardol and 2-methyl cardol. Cardanol is obtained as a major product during hot oil extraction or roasting process of CNSL. Cardanol possesses interesting structural features. The aromatic ring of cardanol can undergo electrophilic substitution reactions; the unsaturated side chain can undergo epoxidation, hydrogenation, metathesis, etc., while the phenolic hydroxyl group can undergo various reactions such as esterification and alkylation. Such opportunities of chemical modifications offered by cardanol have been extensively explored to synthesise a range of interesting aromatic difunctional monomers that have subsequently been utilised to prepare a host of step-growth polymers. Summarised herein are research efforts that have contributed towards the synthesis of step-growth polymers based on aromatic difunctional monomers derived from cardanol. The properties of high-performance polymers, with a particular focus on processability and thermal characteristics, are highlighted.

}, doi = {10.1007/978-3-319-47455-7_9}, author = {Chatterjee, Deepshikha and Sadavarte, Nilakshi V. and Shingte, Rahul D. and More, Arvind S. and Tawade, Bhausaheb V. and Kulkarni, Arun D. and Ichake, Amol B. and Avadhani, C. V. and Wadgaonkar, Prakash P.} } @article {43974, title = {Stimulation of d - and l -lactate dehydrogenases transcriptional levels in presence of diammonium hydrogen phosphate resulting to enhanced lactic acid production by Lactobacillus strain}, journal = {Journal of Bioscience and Bioengineering}, volume = {17}, year = {2017}, month = {AUG}, pages = {1389-1723}, type = {Article}, abstract = {The present study revealed the effect of nitrogen sources on lactic acid production and stimulation of d- and l-lactate dehydrogenases (LDH) of parent Lactobacillus lactis NCIM 2368 and its mutant RM2-24 generated after UV mutagenesis. Both the parent and mutant strains were evaluated for d-lactic acid production in control and modified media. The modified media did not show remarkable effect on lactic acid production in case of parent whereas mutant exhibited significant enhancement in d-lactic acid production along with the appearance of l-lactic acid in the broth. Both LDH activities and specific activities were found to be higher in mutant than the parent strain. These results suggested that the diammonium hydrogen phosphate in modified media triggered the expression of LDH genes leading to enhanced lactic acid production. This observation has been proved by studying the expression levels of d- and l-LDH genes of parent and mutant in control and modified media using quantitative RT-PCR technique. In case of mutant, the transcriptional levels of d-LDH and l-LDH increased \~{}17 fold and \~{}1.38 fold respectively in modified medium compared to the values obtained with control medium. In case of parent, no significant change in transcriptional levels of d- and l-LDH was found when the cells were grown in either control medium or modified medium. This study suggested that the mutant, RM2-24 has l-LDH gene which is expressed in presence of (NH4)2HPO4 resulting in l-lactic acid production. Co-production of l-lactic acid in d-lactic acid fermentation may be detrimental in the PLA production.}, doi = {10.1016/j.jbiosc.2017.07.009}, author = {Singhvi, Mamata S. and Zendo, Takeshi and Iida, Hiroshi and Gokhale, Digambar V. and Sonomoto, Kenji} } @article {43664, title = {Strikingly diverse reactivity of structurally identical silylene and stannylene}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {MAY}, pages = {6528-6532}, abstract = {The reactivity of structurally identical silylene and stannylene [PhC(NtBu)(2)EN(SiMe3)(2)] (E = Si (1) and Sn (2)) towards coinage metals has been explored. While 1 has the propensity to form an adduct with coinage metals (4 and 5), 2 undergoes a ligand exchange reaction with copper halides and silver triflate leading to PhC(NtBu) 2SnX (X = Br (6), Cl (7), and OSO2CF3 (8)) with concomitant formation of [M{N(SiMe3) (2)}] (M = Cu, Ag). However, with AgSbF6 both 1 and 2 led to ion pairs, 9(+) .SbF(6)(-)and 10(+) . SbF(6)(-)displaying weaker Ag center dot center dot center dot center dot F interactions in the latter.}, doi = {10.1039/c7dt01055a}, author = {Parvin, Nasrina and Dasgupta, Rajarshi and Pal, Shiv and Sen, Sakya S. and Khan, Shabana} } @article {43693, title = {Structural and dynamics studies of the TetR family protein, CprB from Streptomyces coelicolor in complex with its biological operator sequence}, journal = {Journal of Structural Biology}, volume = {198}, year = {2017}, month = {MAy}, pages = {134-146}, type = {Article}, abstract = {In Streptomycetes, tetracycline repressor family of transcription regulators (TetR-FTRs) controls various biological processes including antibiotic biosynthesis, cellular morphology and innate resistance. Here, we focus on understanding the structural basis of transcription regulation by CprB, a member of TetR-FTRs from S. coelicolor. CprB is implicated as a receptor of gamma-butyrolactones, a class of quorum sensing molecules, responsible for initiating secondary metabolic pathways. In order to understand the molecular mechanism of DNA recognition, the X-ray structure of CprB in complex with its biological relevant operator sequence was solved to a resolution of 3.95 angstrom. Furthermore, to refine and compliment the results, atomistic molecular dynamics simulations were carried out using the X-ray structure as the template. The studies reveal that CprB binds to DNA as dimer of dimers with this mode of interaction results in minimal distortion in the DNA, enabling these proteins to recognize multiple sequences with varying affinity. Another crucial finding from our simulation results was that the positively charged N-terminal arm of CprB brings extra stability to the protein-DNA complex by interacting with the minor-groove of the DNA and anchoring itself to the phosphate backbone. Corroborating electrophoretic mobility shift assay and fluorescence anisotropy experiments showed that the mutant AN6-CprB exhibited about 7-8 fold reduced DNA binding. Comparison with other TetR-FTRs reveals that this strategy is also employed by over 25\% of TetR-FTRs, where N-terminal anchoring mechanism is used to enhance selectivity for a particular DNA sequence. (C) 2017 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.jsb.2017.03.006}, author = {Bhukya, Hussain and Jana, Asis K. and Sengupta, Neelanjana and Anand, Ruchi} } @article {43996, title = {Structural insights into the hydrogen-bonding and folding pattern in ant-ant-pro-gly tetrapeptides}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {MAY}, pages = {2944{\textendash}2949}, type = {Article}, abstract = {In this paper, we provide structural insights into the hydrogen-bonding and folding pattern in Ant-Ant-Pro-Gly tetrapeptides (Ant: anthranilic acid; Pro: proline; and Gly: glycine). Comparison of the C-terminal esters and their amide analogs revealed strikingly different H-bonding networks. Whereas the ester analogs displayed an open structure without terminal H-bonding interactions, the amide analogs showed a completely folded structure. Structural details were revealed by using a combination of X-ray crystal structure studies and NOE-based molecular dynamics (MD) simulation studies.}, doi = {10.1002/ejoc.201700181}, author = {Baravkar, Sachin B. and Kotmale, Amol S. and Mobin, Samir R. and Gonnade, Rajesh Ghanshyam and Sanjayan, Gangadhar J.} } @article {43497, title = {Structural, magnetic, dielectric and magnetodielectric properties of Bi1-xCaxFe1-xMnxO3 in the morphotropic phase boundary region}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {JAN}, pages = {Article Number: 016104}, abstract = {Structural, magnetic, dielectric and magnetodielectric properties of Ca and Mn co-substituted bismuth ferrite, Bi1-xCaxFe1-xMnxO3 (0 <= x <= 0.4) are reported. Structural studies by Rietveld refinement of XRD patterns revealed rhombohedral R3c structure for x <= 0.11 and orthorhombic Pbnm structure for x >= 0.2. For compositions in the range 0.11 < x < 0.2, mixed phase behaviour is observed showing a morphotropic phase boundary (MPB) region. Magnetisation at room temperature increases with increasing Ca and Mn content, showing weak ferromagnetism. Coercivity and remanence initially increase and then decrease with increasing x, showing a maximum for x = 0.175 in the MPB region. Dielectric constant also shows a maximum value in the mixed phase region. Magnetodielectric (MD) studies revealed positive MD for the R3c phase and a negative MD for the Pbnm phase, showing a maximum MD (similar to 1\%) for x approximate to 0.1 and crossover at x approximate to 0.175. The studies show strong interplay between the structure and properties, suggesting tuneable bismuth ferrite based compositions for magnetoelectric applications.}, doi = {10.1088/2053-1591/aa5686}, author = {Manjunath, B. and Thakuria, P. and Joy, P. A.} } @article {43858, title = {Structural phases, magnetic properties and Maxwell-Wagner type relaxation of CoFe2O4/Sr2Co2Fe12O22 ferrite composites}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {JUL}, pages = {Article Number: 076105}, type = {Article}, abstract = {CoFe2O4 (S:Y-1:0) and Sr2Co2Fe12O22 (S:Y-0:1) ferrites were synthesized separately by using chemical coprecipitation technique and calcined at 1000 degrees C for 5 h. The mixed ferrite composites (S:Y-3:7, 4:6, 5:5, 6:4 and 7:3) were prepared by physical mixing of individual ferrite powders in required weight proportions. The prepared composites were heated at 1150 degrees C for 5 h in a muffle furnace and then slowly cooled to room temperature. The prepared ferrites were characterized using various instrumental techniques like FTIR, XRD, SEM, VSM and dielectric measurements. The x-ray diffraction studies of pure Sr2Co2Fe12O22 ferrite sample show the presence of M and Y-type hexagonal phases, while the composites consist of spinel and Y-type phases. FTIR spectra of all samples show two bands of Fe-O stretching vibrations. VSM results of composites reveal that the values of the saturation magnetization (M-s) vary from 50.44 emu g(-1) to 31.21 emu g(-1), while remanent magnetization values found from 11.18 emu g(-1) to 3.70 emu g(-1). A higher value of coercivity (H-c = 562 emu g(-1)) is observed in the composite S:Y-3:7 but Mr/Ms ratio of pure and composites is found to be less than 0.5. The dielectric behavior is explained using Maxwell-Wegner type interfacial polarization and N. Rezlescu{\textquoteright}s model.}, doi = {10.1088/2053-1591/aa7699}, author = {Patel, Chirag K. and Solanki, Neha P. and Singh, Charanjeet and Jotania, Rajshree B. and Chauhan, Chetna C. and Kulkarni, Shailja D. and Shirsath, Sagar E.} } @article {45675, title = {Structure and short time degradation studies of sodium zirconium phosphate ceramics loaded with simulated fast breeder (FBR) waste}, journal = {Journal of Nuclear Materials}, volume = {487 }, year = {2017}, month = {APR}, pages = {5-12}, type = {Article}, abstract = {Sodium zirconium phosphate (NZP) ceramics have been prepared using conventional sintering and hot isostatic pressing (HIP) routes. The structure of NZP ceramics, prepared using the HIP route, has been compared with conventionally sintered NZP using a combination of X-ray diffraction (XRD) and (P-31 and Na-23) nuclear magnetic resonance (NMR) spectroscopy techniques. It is observed that NZP with no waste loading is aggressive toward the steel HIP -can during hot isostatic compaction and significant fraction of cations from the steel enter the ceramic material. Waste loaded NZP samples (10 wt\% simulated FBR waste) show significantly low can -interaction and primary NZP phase is evident in this material. Upon exposure of can -interacted and waste loaded NZP to boiling water and steam, P-31 NMR does not detect any major modifications in the network structure. However, the Na-23 NMR spectra indicate migration of Na+ ions from the surface and possible re -crystallization. This is corroborated by Small -Angle Neutron Scattering (SANS) data and Scanning Electron Microscopy (SEM) measurements carried out on these samples.}, doi = {10.1016/j.jnucmat.2017.01.054}, author = {Ananthanarayanan, A. and Ambashta, R. D. and Sudarsan, V. and Ajithkumar, T. and Sen, D. and Mazumder, S. and Wattal, P. K.} } @article {45699, title = {Structure-function relationship of a bio-pesticidal trypsin/chymotrypsin inhibitor from winged bean}, journal = {International Journal of Biological Macromolecules}, volume = {96}, year = {2017}, month = {MAR}, pages = {532-537}, type = {Article}, abstract = {

Protease inhibitors are essential bio-molecules that serve as a model system for the study of protein structure and protease-protease inhibitor interaction. We here report a bi-functional serine protease inhibitor from winged bean (WBCTI) that completely retains its inhibitory property against trypsin and chymotrypsin even after heating at 70 degrees C. Detailed circular dichroism and fluorescence studies at different temperatures, 30-90 degrees C, have been performed to understand the reason behind thermal stability of the protein. On the basis of our results it appears that WBCTI maintains its canonical structure up to 70 degrees C. Above that the heat induced conformational change becomes irreversible which causes aggregation followed by precipitation of the protein. Moreover, the activity and stability of the secondary structure are found to decrease drastically in presence of dithiothreitol indicating that the protein acquires additional stability for the occurrence of two disulfide bonds. In addition to the structural characterization, an important property of WBCTI against the polyphagous pest Helicoverpa armigera has been explored in present study. WBCTI has showed reasonable inhibition of the mid-gut proteases of H. armigera. In artificial feeding trial through addition of WBCTI in diet resulted in significant growth retardation, delayed pupae formation and higher mortality of H. armigera larvae. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Disulfide reduction, Heat stable, Pesticidal, Trypsin/Chymotrypsin inhibitor, Winged bean}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2016.12.018}, author = {Banerjee, Sayanika and Giri, Ashok P. and Gupta, Vidya S. and Dutta, Samir Kumar} } @article {43773, title = {Studies on the role of unsaturation in the fatty acid surfactant molecule on the thermal conductivity of magnetite nanofluids}, journal = {Journal of colloid and interface science }, volume = {506}, year = {2017}, month = {NOV}, chapter = {162-168}, abstract = {

To study the role of unsaturation in the surfactant molecule on the thermal conductivity of magnetite nanofluids, four different fatty acid (stearic, oleic, linoleic, and linolenic acids with different degree of unsaturation) coated magnetite nanoparticles of comparable size are prepared and dispersed in toluene. It is found that the nanofluid with the saturated fatty acid coated nanoparticles show larger viscosity than the fluid with the unsaturated fatty acid coated particles at all concentrations. Thermal conductivity studies show enhancement only above a critical concentration for all fluids. The critical concentration for thermal conductivity enhancement varies with the surfactant, possibly due to the difference in the degree of aggregation of the nanoparticles in the fluid, because of the difference in the conformation of the surfactant molecules on the nanoparticle{\textquoteright}s surface. The experimental thermal conductivity follows the Maxwell model at higher concentrations. From the overall studies, it is observed that the thermal conductivity of the fluids with aggregated or assembled nanoparticles shows slightly larger enhancement than that of the fluids with isolated particles. However, in the presence of a magnetic field, the fluids with isolated nanoparticles showed relatively larger enhancement, possibly due to the easy response of the isolated magnetite nanoparticles to the applied field. (C) 2017 Elsevier Inc. All rights reserved.

}, keywords = {Chains, Dynamics, Enhancement, Fields, Fluids, Forces, gold nanoparticles, Magnetic fluid; Nanofluid; Surfactant; Unsaturation; Conformation; Thermal conductivity; Viscosity, Self-assembled Monolayers}, issn = {0021-9797}, doi = {10.1016/j.jcis.2017.07.038}, author = {Lenin, Ramanujam and Joy, Pattayil Alias} } @conference {44414, title = {Studies on use of sodium poly acrylate (SPA) for low salt animal skinpreservation}, booktitle = { IULTCS CONGRESS 2017}, year = {2017}, month = {FEB}, publisher = {Central Leather Research Institute}, organization = {Central Leather Research Institute}, address = { ITC CHOLA , CHENNAI}, abstract = {In this study, commercial sodium poly acrylate (SPA) is used along with sodium chloride for low salt skin preservation. SPA is a super-absorbent polymer which can absorb water many times of its own weight.}, author = {Sandhya, K. V. and Brindha, Velappan and Abinandan, Sudharsanam and Vedaraman, N. and John, Sundar V. and Suresha, P. R. and Badiger, Manohar and Chinnaraj, Velappan kandukalpatti and Muralidharan, C.} } @article {44413, title = {Study of nanofiber scaffolds of PAA, PAA/CS, and PAA/ALG for its potential use in biotechnological applications}, journal = {International Journal of Polymeric Materials}, year = {2017}, month = {MAY}, abstract = {In recent times, electrospun nanofibers have been widely studied from several biotechnological approaches; in this work, poly (acrylic acid) solutions mixed with chitosan and alginate were electrospun and characterized in order to determine the behavior of these fibers when used in combination with bacteria, different samples were incubated with the bacterial strains: Streptomyces spp., Micromonospora spp. and Escherichia coli and a OD600 test was performed. The formation of nanofibers via electrospinning and the physicochemical properties of the obtained fibers were evaluated. Results showed that the presence of Chitosan enhanced the thermal stability of poly (acrylic acid), since poly (acrylic acid)/alginate fibers lost 5\% of their mass at 41{\textdegree}C while poly (acrylic acid)/chitosan lost this amount at around 125{\textdegree}C. The fibers demonstrated suitable characteristics to be used as a bacteria bioreactor.}, doi = {10.1080/00914037.2017.1378887}, author = {Rodolfo, Velasco and Ricardo, Vera-Graziano and L{\'o}pez-Maldonado, E.A. and Mercedes, Oropeza and Dastager, Syed and Adriana, {\'A}lvarez-Andrade and Ana, leticia Iglesias and Luis, Jes{\'u}s Villarreal-G{\'o}mez} } @article {44012, title = {Study of the effect of operating parameters on the extractive distillation of isopropyl alcohol{\textendash}water mixture using dimethyl sulphoxide as an entrainer}, journal = {Indian Chemical Engineer}, volume = {60}, year = {2017}, month = {MAY}, pages = {141-161}, type = {Journal Article}, chapter = {1-21}, abstract = {

Abstract: In this paper, the simulation analysis of separation of isopropyl alcohol (IPA){\textendash}water via extractive distillation by using dimethyl sulphoxide as an entrainer is presented. The steady-state simulation for this process was done using Aspen Plus simulator. The aim of this work is to study the effect of various operating parameters such as number of stages, molar reflux ratio, binary feed stage number, entrainer feed stage number, temperature of entrainer feed and entrainer to feed molar ratio on the purity and energy consumption. The sensitivity of these parameters serves as a basis to choose the optimum operating conditions to maximize the IPA purity and minimize the energy requirement. In this analysis, among various operating parameters, those which directly affect the IPA purity and the parameters which affect the reboiler duty, for the given separation task, are identified. Simulation results with optimum operating conditions and their economic analysis are also presented.

}, keywords = {Aspen Plus Simulators, Azeotrope, Computer software, Distillation, Energy requirements, Energy utilization, Extractive distillation, Isopropyl alcohol/water, Isopropyl alcohols, Operating parameters, Optimum operating conditions, Sensitivity analysis, simulation, SimulationSteady-state simulations, Solvents}, issn = {0019-4506}, doi = {10.1080/00194506.2017.1322923}, author = {Ghuge, Pravin D. and Mali, Nilesh A. and Sirsam, R. S.} } @article {45696, title = {Study of thermally coupled distillation systems for energy-efficient distillation}, journal = {Sadhana-Academy Proceedings in Engineering Sciences}, volume = {42}, year = {2017}, month = {JAN}, pages = {119-128}, type = {Article}, abstract = {

Distillation is one of the most widely used separation unit operations in process industries, although it is quite energy intensive. In many cases, the enormous energy requirements for distillation make it economically infeasible to carry out the separation. Thermally coupled distillation system (TCDS) is an advanced distillation method that provides significant energy savings of about 30\% as compared with conventional distillation column sequences. The most well-known TCDS sequence, the Petlyuk configuration, has some operational challenges due to bidirectional vapour flow, which makes its implementation difficult in two-column mode. To overcome these limitations, a number of unidirectional vapour flow configurations have been proposed in the literature. The work on simulation analysis for such configurations is limited. In this paper, simulation models for two such configurations are developed, analyzed and compared with the Petlyuk and conventional distillation column sequences for separation of equimolar mixture of benzene-toluene-ethylbenzene.

}, keywords = {Distillation, energy efficient, Petlyuk, simulation, thermally coupled}, issn = {0256-2499}, doi = {10.1007/s12046-016-0580-x}, author = {Saxena, Neha and Mali, Nilesh and Satpute, Satchidanand} } @article {44142, title = {Study on doped heterojunctions in TiO2 nanotubes: an efficient photocatalyst for solar water splitting}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {OCT}, pages = {Article Number: 14314}, type = {Article}, abstract = {The two important factors that affect sunlight assisted water splitting ability of TiO2 are its charge recombination and large band gap. We report the first demonstration of nitrogen doped triphase (anatase-rutile-brookite) TiO2 nanotubes as sun light active photocatalyst for water splitting with high quantum efficiency. Nitrogen doped triphase TiO2 nanotubes, corresponding to different nitrogen concentrations, are synthesized electrochemically. Increase in nitrogen concentration in triphase TiO2 nanotubes is found to induce brookite to anatase phase transformation. The variation in density of intra-band states (Ti3+ and N 2p states) with increase in nitrogen doping are found to be critical in tuning the photocatalytic activity of TiO2 nanotubes. The presence of bulk heterojunctions in single nanotube of different nitrogen doped TiO2 samples is confirmed from HRTEM analysis. The most active nitrogen doped triphase TiO2 nanotubes are found to be 12 times efficient compared to pristine triphase TiO2, for solar hydrogen generation. The band alignment and charge transfer pathways in nitrogen doped TiO2 with triphase heterojunctions are delineated. Bulk heterojunctions among the three phases present in the nanotubes with intra-band defect states is shown to enhance the photocatalytic activity tremendously. Our study also confirms the theory that three phase system is efficient in photocatalysis compared to two phase system.}, doi = {10.1038/s41598-017-14463-0}, author = {Preethi, L. K. and Antony, Rajini P. and Mathews, Tom and Walczak, Lukasz and Gopinath, Chinnakonda S.} } @article {43500, title = {Sulfamic acid-catalyzed, environmentally benign synthesis of bis-tetronic acids at ambient temperature}, journal = {Research on Chemical Intermediates}, volume = {43}, year = {2017}, month = {JAN}, pages = {141-152}, abstract = {An enviro-economic protocol has been described for the synthesis of bis-tetronic acids by pseudo-three-component condensation between aldehydes/isatins and tetronic acid using sulfamic acid as a solid acid catalyst. Easy commercial availability of the catalyst at extremely low cost, excellent yields and avoidance of conventional purification procedures are the main merits of this energy efficient protocol.}, doi = {10.1007/s11164-016-2611-y}, author = {Pandit, Kapil S. and Desai, Uday V. and Wadgaonkar, Prakash P. and Kodam, Kisan M.} } @article {43258, title = {Superoxide generation and its involvement in the growth of mycobacterium smegmatis}, journal = {Frontiers in Microbiology}, volume = {8}, year = {2017}, month = {JAN}, pages = {Article Number: 105}, abstract = {

Superoxide generation is inevitable in aerobic organisms, most of which have developed mechanisms to detoxify superoxides. However, its significance has not been clearly understood in mycobacteria. This study demonstrates that NADH oxidase is the major source of superoxide in Mycobacterium smegmatis and elucidates the involvement of superoxide in M. smegmatis growth. The maximum inhibition of superoxide generation was observed in the presence of diphenyleneiodonium chloride (DPI), an NADH oxidase inhibitor, compared to other standard inhibitors. After incubation for 24 h, the number of colony forming units (CFUs) was reduced by 6.8 log10 compared to the untreated culture. The inhibitory effect of DPI on M. smegmatis was reversed when the same culture was supplemented with menadione and pyrogallol, which are superoxide generators. Thus, this study reports the source of superoxide generation and its involvement in the growth of M. smegmatis.

}, doi = {10.3389/fmicb.2017.00105}, author = {Yeware, Amar M. and Shurpali, Ketaki D. and Athalye, Meghana C. and Sarkar, Dhiman} } @article {44127, title = {Super-resolution probe to monitor HNO levels in the endoplasmic reticulum of cells}, journal = {Analytical Chemistry}, volume = {89}, year = {2017}, month = {NOV}, pages = {12087-12093}, type = {Article}, abstract = {Selective detection of nitroxyl (HNO), which has recently been identified as a reactive nitrogen species, is a challenging task. We report a BODIPY-based luminescence ON reagent for detection of HNO in aqueous solution and in live RAW 264.7 cells, based on the soft nucleophilicity of the phosphine oxide functionality toward HNO. The probe shows high selectivity to HNO over other reactive oxygen/nitrogen and sulfur species. Luminescence properties of the BODIPY-based chemodosimetric reagent make it an ideal candidate for use as a reagent for super-resolution structured illumination microscopy. The viability of the reagent for biological in vivo imaging application was also confirmed using Artemia as a model.}, doi = {10.1021/acs.analchem.7b02567}, author = {Ali, Firoj and Sreedharan, Sreejesh and Ashoka, Anila Hoskere and Saeed, Hiwa K. and Smythe, Carl G. W. and Thomas, Jim A. and Das, Amitava} } @article {43818, title = {Supramolecular synthons in bumetanide cocrystals and ternary products}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {AUG}, pages = {4225-4236}, type = {Article}, abstract = {A novel design strategy for cocrystals of the diuretic sulfonamide drug bumetanide (BUM) with carboxamides is reported based on reliable supramolecular synthons. Binary cocrystals of BUM with pyridine carboxamides, pyridones, and cytosine were obtained by solvent assisted grinding followed by solution crystallization. All cocrystal structures exhibit hydrogen bonding of the coformer with the carboxylic acid group of BUM via heterosynthons which replace the acid homodimer in the drug crystal structure. Pyridones are inserted as N-H center dot center dot center dot O dimers which are in turn bonded to the acid group of BUM, while the pyridine amide coformers interact via the acid amide heterosynthon. Cocrystal polymorphs were obtained for bumetanide isonicotinamide cocrystal structure with the sulfonamide pyridine and sulfonamide acid synthons. Careful crystal packing analysis of BUM structure and nine new binary adducts gave an idea for the design ternary cocrystals, and subsequently four new ternary crystalline products were crystallized. Whereas the binary cocrystal structures were confirmed by single crystal diffraction, the ternary combinations were chatacterized by their unique powder X-ray diffraction patterns as well as by thermal and spectroscopic techniques.}, doi = {10.1021/acs.cgd.7b00531}, author = {Allu, Suryanarayana and Bolla, Geetha and Tothadi, Srinu and Nangia, Ashwini} } @article {45753, title = {Surface disordered rutile TiO2-graphene quantum dot hybrids: a new multifunctional material with superior photocatalytic and biofilm eradication properties}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {APR}, pages = {2642-2657}, type = {Article}, abstract = {The controlled introduction of defects in semiconductors has contributed to the development of electronic devices and technologies. Recently, chemical control over defects, formation of new hybrid materials and multifunctional nanostructures have been sought in energy, health, and environment related technologies. Surface-disordered anatase-TiO2 has received wide attention due to its exceptional photocatalytic performance. Herein, we demonstrate, for the first time, a one-step aqueous-phase synthesis of a surface-disordered rutile TiO2-graphene quantum dot (TG) hybrid material. The TG-hybrid is a rutile-TiO2 matrix in which homogeneous in situ insertion of GQDs occurs during the growth of the TiO2 particles. The TG-hybrid material showed superior photocatalytic performance with similar to 98\% solar light driven photo-degradation of methylene blue (MB) dye within 6 min and similar to 86\% of rhodamine-B (RhB) within 4 min which is much better than the photocatalytic performance shown by the rutile-TiO2 (similar to 30\% and similar to 20\%, respectively) and GQDs (similar to 15\% and similar to 8\%, respectively), themselves. Moreover, the TG-hybrid also showed enhanced toxicity to Gram-positive (S. aureus) as well as Gram-negative (E. coli, P. aeruginosa) bacterial cells. The growth-curves of E. coli cells, after incubating them with increasing concentrations of the TG-hybrid, showed that the TG-hybrid could effectively inhibit the growth of E. coli cells at a concentration of 60 mu g mL(-1). The effect of UV-light exposure on the bacterial-biofilm disruption by the TG-hybrid material was also investigated. It was observed that in the presence of UV-light, the biofilm disruption done by the TG-hybrid was larger in comparison to the TiO2 and GQDs alone, under the same conditions. The increase in the formation of reactive oxygen species (ROS) in the presence of sunlight for the TG-hybrid may be the reason behind its superior antibacterial and biofilm eradication properties. We believe that the TG-hybrid material will have applications in energy, health and environment related technologies.}, doi = { 10.1039/c6nj03607d}, author = {Biswas, A. and Salunke, G. and Khandelwal, P. and Das, R. and Poddar, P.} } @article {45739, title = {Sustainable biobutanol production from pineapple waste by using Clostridium acetobutylicum B 527: Drying kinetics study}, journal = {Bioresource Technology}, volume = {225}, year = {2017}, month = {FEB}, pages = {359-366}, type = {Article}, abstract = {Present investigation explores the use of pineapple peel, a food industry waste, for acetone-butanol-ethanol (ABE) production using Clostridium acetobutylicum B 527. Proximate analysis of pineapple peel shows that it contains 35\% cellulose, 19\% hemicellulose, and 16\% lignin on dry basis. Drying experiments on pineapple peel waste were carried out in the temperature range of 60-120 degrees C and experimental drying data was modeled using moisture diffusion control model to study its effect on ABE production. The production of ABE was further accomplished via acid hydrolysis, detoxification, and fermentation process. Maximum total sugar release obtained by using acid hydrolysis was 97 g/L with 95-97\% and 10-50\% removal of phenolics and acetic acid, respectively during detoxification process. The maximum ABE titer obtained was 5.23 g/L with 55.6\% substrate consumption when samples dried at 120 degrees C were used as a substrate (after detoxification). }, doi = {10.1016/j.biortech.2016.11.058} } @article {44008, title = {Syntheses and single crystal X-ray diffraction studies of hydroxynicotinic acid based complexes involving supramolecular interactions}, journal = {Polyhedron}, volume = {133}, year = {2017}, month = {SEP}, pages = {222-230}, type = {Journal Article}, abstract = {Aqua-bridged coordination polymers of Cu(II) and Cd(II) and a mononuclear complex of Cu(II) were solvothermally synthesized with hydroxy-decorated ligands such as 2-hydroxynicotinic acid (2-OHNAH) and 6-hydroxynicotinic acid (6-OHNAH) in aqueous-nonaqueous mixed media. All these complexes were characterized by elemental analyses (C, H, N), FT-IR, thermogravimetric analysis (TGA), powder XRD and single crystal X-ray crystallography. They are formulated as [Cu(2-OHNA)2] 1, [Cu(6-OHNA)2(μ-H2O)2]n 2 and [Cd(6-OHNA)2(μ-H2O)2]n 3. Complex 1 is mononuclear 0D square planar complex which extends its dimensionality by weak supramolecular interactions such as π{\textendash}π stacking interactions and intermolecular hydrogen bonding. Complexes 2 and 3 are polymeric aqua-bridged 1D infinite chain of Cu(II) and Cd(II), respectively. The central metal ions in these two complexes are in octahedral coordination environment. These two complexes are also assembled by π{\textendash}π stacking interactions, inter- and intramolecular hydrogen bonding interactions. }, keywords = {2-Hydroxynicotinic Acid, 6-Hydroxynicotinic Acid, Coordination polymer, Polymeric Aqua-Bridged, X-ray diffraction}, doi = { 10.1016/j.poly.2017.05.041}, author = {Singh, S.K.}, editor = {Srivastava, K.} } @article {43671, title = {Synthesis and antimycobacterial screening of new thiazolyl-oxazole derivatives}, journal = {European Journal of Medicinal Chemistry}, volume = {132}, year = {2017}, month = {MAY}, pages = {333-340}, type = {Article}, abstract = {

In the present study a series of 4-methyl-2-aryl-5-(2-aryl/benzyl thiazol-4-yl) oxazole (4a-v) have been synthesized and evaluated for their preliminary antitubercular, antimicrobial and cytotoxicity activity. Among all the synthesized compounds, 4v reported comparable activity against dormant M. tuberculosis H37Ra and M. bovis BCG strains with respect to standard drug rifampicin. The active compounds from the antitubercular study were further tested for anti-proliferative activity against HeLa, A549 and PANC-1 cell lines using MU assay and showed no significant cytotoxic activity at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antibacterial activities with MIC range of 2.1-26.8 mu g/mL. High potency, lower cytotoxicity and promising antimycobacterial activity suggested that these compounds could serve as good leads for further optimisation and development. (C) 2017 Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.ejmech.2017.03.065}, author = {Abhale, Yogita K. and Sasane, Amit V. and Chavan, Abhijit P. and Shekh, Saddam Husen and Deshmukh, Keshav K. and Bhansali, Sujit and Nawale, Laxman and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {42980, title = {Synthesis and antitubercular activity of new thiazolidinones with pyrazinyl and thiazolyl scaffolds}, journal = {Journal of Heterocyclic Chemistry}, volume = {54}, year = {2017}, month = {JAN}, pages = {125-130}, abstract = {

Emergence of multidrug resistant and extensively drug resistant tuberculosis has prompted to develop new molecular entities to treat the disease. A series of new 4-thiazolidinones with pyrazinyl and thiazolyl scaffolds has been synthesized, and their antitubercular activity is reported. The title 4-thiazolidinones, N-(pyrazinyl substituted thiazoloylamino)-2-aryl-4-thiazolidinones () have been first time prepared using pyrazinamide as a starting material via five successive steps. The purity and the structures of the intermediates (carboethoxythiazole, acid hydrazide, and azomethines) and title thiazolidinones () have been confirmed by TLC and spectral analyses, respectively. An antitubercular screening of the new 4-thiazolidinones has been performed on bacterial strains, Mycobacterium tuberculosis H37Ra and Mycobacterium BCG using the solutions of different concentrations of the compounds () and the screening results are presented. Compound has displayed notable antitubercular activity.

}, doi = {10.1002/jhet.2552}, author = {Dhumal, Sambhaji T. and Deshmukh, Amarsinh R. and Khillare, Lalit D. and Arkile, Manisha A. and Sarkar, Dhiman and Mane, Ramrao A.} } @article {43266, title = {Synthesis and biological evaluation of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione as anti-mycobacterial agents}, journal = {Chemical Biology \& Drug Design}, volume = {90}, year = {2017}, month = {JAN}, pages = {200-209}, type = {Article}, abstract = {Resistance among dormant mycobacteria leading to multi-drug resistant (MDR) and extremely-drug resistant(XDR) tuberculosis is one of the major threats. Hence, a series of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione derivatives (4a-5c) have been synthesised and screened for their anti-tubercular activity against Mycobacterium tuberculosis H37Ra (H37Ra). Thetriazolethiones4b and 4v showed high anti-tubercular activity (both MIC and IC50) against the dormant H37Ra by in vitro and ex vivo. They were shown to have more specificity towards mycobacteria than other gram-negative and gram- positive pathogenic bacteria. The cytotoxicity was almost insignificant up to 100 μg/mL against THP-1, A549 and PANC-1 human cancer cell lines, and solubility was high in aqueous solution, indicating the potential of developing these compounds further as novel therapeutics against tuberculosis infection.}, doi = {10.1111/cbdd.12939}, author = {Sonawane, Amol and Rode, Navnath D. and Nawale, Laxman U. and Joshi, Rohini R. and Joshi, Ramesh A. and Likhite, Anjali P. and Sarkar, Dhiman} } @article {42938, title = {Synthesis and biological evaluation of new fluconazole β-lactam conjugates linked via 1,2,3-triazole}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {FEB}, pages = {470-479}, abstract = {

Novel 1,2,3-triazole-linked β-lactam{\textendash}fluconazole conjugates 12(a{\textendash}l) were designed and synthesized. The compounds showed potent antifungal activity against two pathogenic Candida strains; Candida albicans ATCC 24433 and Candida albicans ATCC 10231 with MIC values in the range of 0.0625{\textendash}2 μg mL-1. Compounds 12h, 12j and 12k showed promising antifungal activity against all the tested fungal pathogens except C. neoformans ATCC 34554 compared to fluconazole. Compound 12j in which the β-lactam ring was formed using para-anisidine and benzaldehyde was found to be more potent than fluconazole against all the fungal strains with an IC50 value of \<0.015 μg mL-1 for Candida albicans (ATCC 24433). Mechanistic studies for active compounds revealed that the antifungal action was due to ergosterol inhibition. Compounds 12h and 12j at a concentration of 0.125 μg mL-1 caused 91.5 and 96.8\% ergosterol depletion, respectively, compared to fluconazole which at the same concentration caused 49\% ergosterol depletion. The molecular docking study revealed that all the fluconazole β-lactam conjugates 12(a{\textendash}l) could snugly fit into the active site of lanosterol 14α-demethylase (CYP51) with varying degrees of affinities. As anticipated, the binding energy for compound 12j (-58.961 kcal mol-1) was much smaller than that for fluconazole (-52.92 kcal mol-1). The synthesized compounds have therapeutic potential for the control of candidemia.

}, doi = {10.1039/C6NJ03117J}, author = {Divse, Jaisingh M. and Mhaske, Santosh B. and Charolkar, Chaitanya R. and Sant, Duhita G. and Tupe, Santosh G. and Deshpande, Mukund V. and Khedkar, Vijay M. and Nawale, Laxman U. and Sarkar, Dhiman and Pore, Vandana S.} } @article {43261, title = {Synthesis and cell imaging applications of fluorescent mono/di/tri-heterocycl- yl-2,6-dicyanoanilines}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {27}, year = {2017}, month = {DEC}, pages = {979-988}, abstract = {

Synthesis of 3,4,5-triheterocyclyl-2,6-dicyanoanilines, starting from heterocyclic aldehydes and 1,2-diheterocycle-substituted ethanones, is described. 2,6-Dicyanoanilines with one or two heterocyclic substituents have also been synthesized. It was found that some of these molecules have selective cell-staining properties useful for cell imaging applications. The compounds 1g, 10f and 11 were found to stain cytoplasm of the cells in contact but not the nucleus while the compound 12 showed affinity to apoptotic cells resulting in blue fluorescence. The cell imaging results with compound 12 were similar to Annexin V-FITC, a known reagent containing recombinant Annexin V conjugated to green-fluorescent FITC dye, used for detection of apoptotic cells. These compounds were found to be non-cytotoxic and have potential application as cell imaging agents.

}, doi = {10.1016/j.bmcl.2016.12.074}, author = {Pisal, Mahesh M. and Annadate, Ritesh A. and Athalye, Meghana C. and Kumar, Dipak and Chavan, Subhash P. and Sarkar, Dhiman and Borate, Hanumant B.} } @article {45761, title = {Synthesis and characterization of D-2PA-Pd(II)@SBA-15 catalyst via {\textquoteleft}{\textquoteleft}click chemistry{\textquoteright}{\textquoteright}: highly active catalyst for Suzuki coupling reactions}, journal = {Journal of Porous Materials}, volume = {24}, year = {2017}, month = {APR}, pages = {327-340}, type = {Article}, abstract = {

Copper catalysed cycloaddition reaction between azide and terminal alkyne, called as {\textquoteleft}{\textquoteleft}click reaction{\textquoteright}{\textquoteright}, was found to be modular approach for the synthesis of facile, highly efficient and recoverable D-2PA-Pd(II)@SBA-15 catalyst. In efforts to synthesize the catalyst, the cycloaddition reaction between azido-functionalized mesoporous SBA-15 and N,N-dimethyl-2-propynylamine (D-2PA) has been carried out, followed by the complexation with PdCl2. To analyze physiochemical properties of synthesized materials, various characterization techniques such as CHN elemental analysis, X-ray diffraction, solid state C-13 and Si-29 NMR spectra, FT-IR, XPS, SEM, TEM and N-2 sorption analysis, TGA and DTA, UV-Vis spectroscopy have been carried out. The synthesized catalyst, D-2PA-Pd(II)@SBA-15, exhibited excellent catalytic activities with good product yield and high TON towards Suzuki coupling reaction of various aryl halides with phenylboronic acid. The effect of solvent, base and temperature on coupling reactions has also been described. The developed protocol offers recyclability of catalyst for multiple (four) times without any appreciable loss in stability and catalytic reactivity.

}, keywords = {Click reaction, Cycloaddition, mesoporous materials, SBA-15, Suzuki coupling}, issn = {1380-2224}, doi = {10.1007/s10934-016-0266-0}, author = {Pathak, Aruna and Singh, A. P.} } @article {42973, title = {Synthesis and characterization of polyhydrazides and poly(1,3,4-oxadiazole)s containing multiple arylene ether linkages and pendent pentadecyl chains}, journal = {High Performance Polymers}, volume = {29}, year = {2017}, month = {SEP}, chapter = {836-848}, abstract = {

A new diacylhydrazide monomer, namely, 4-(4-(4-(4-(hydrazinocarbonyl)phenoxy)-2-pentadecylphenoxy)phenoxy) benzohydrazide (HPPDPB), was synthesized starting from 4-(4-hydroxyphenoxy)-3-pentadecylphenol. HPPDPB was polycondensed with terephthalic acid chloride (TPC), isophthalic acid chloride (IPC) and a mixture of TPC and IPC (50:50 mol\%) to obtain polyhydrazides containing multiple arylene ether linkages in the backbone and pendent pentadecyl chains. Polyhydrazides were subsequently cyclized in the presence of phosphorus oxychloride to obtain the corresponding poly(1,3,4-oxadiazole)s. Polyhydrazides and poly(1,3,4-oxadiazole)s exhibited inherent viscosities in the range 0.65{\textendash}0.72 dL g-1 and 0.54{\textendash}0.62 dL g-1, respectively, which indicated the formation of reasonably high-molecular weight polymers. Polyhydrazides were soluble in polar aprotic solvents such as N,N-dimethylformamide, N,N-dimethylacetamide (DMAc), 1-methyl-2-pyrrolidinone and pyridine whereas poly(1,3,4-oxadiazole)s exhibited excellent solubility even in common organic solvents such as chloroform, dichloromethane and tetrahydrofuran. Tough, transparent and flexible films of polyhydrazides and poly(1,3,4-oxadiazole)s could be cast from DMAc and chloroform solutions, respectively. X-Ray diffraction studies revealed amorphous nature of polyhydrazides and poly(1,3,4-oxadiazole)s and the formation of layered structure was observed due to ordered packing of pentadecyl chains. The 10\% decomposition temperature (T 10) values for poly(1,3,4-oxadiazole)s were in the range 425{\textendash}440{\textdegree}C indicating their good thermal stability. Glass transition temperature (T g) values of polyhydrazides and poly(1,3,4-oxadiazole)s were in the range 175{\textendash}192{\textdegree}C and 92{\textendash}103{\textdegree}C, respectively. The excellent solubility characteristics and the large gap between T g (92{\textendash}103{\textdegree}C) and T 10 (425{\textendash}440{\textdegree}C) values give poly(1,3,4-oxadiazole)-containing pendent pentadecyl chains better opportunities for processability.

}, doi = {10.1177/0954008316660368}, author = {Tawade, Bhausaheb V. and Valsange, Nitin G. and Wadgaonkar, Prakash P.} } @article {44045, title = {Synthesis and characterization of six-membered pincer nickelacycles and application in alkylation of benzothiazole}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {AUG}, pages = {1161-1169}, type = {Article}, abstract = {

Six-membered pincer nickelacycle complexes have been synthesized and employed for the catalytic C{\textendash}H bond alkylation of benzothiazole. The pincer nickelacycle, {κP, κC, κP- (2 - iPr 2POCH 2-C 6H 3- 6 -CH 2OP iPr 2)} NiBr , [(iPr4-POCCCOP)NiBr(2)] was synthesized by the reaction of 1,3 - iPr 2POCH 2-C 6H 4-CH 2OP iPr 2[(iPr4-POCCCOP)-H(1)] with (CH3CN)2NiBr2 in the presence of Et 3N via the C(2){\textendash}H activation on ligand 1. Treatment of [(iPr4-POCCCOP)NiBr](2) with AgOAc afforded the complex [(iPr 4-POCCCOP) Ni (OAc)] (3) in good yield. Both the complexes 2 and 3 were characterized by 1H , 13C and 31P -NMR spectral analysis. Further, the molecular structures of complexes 2 and 3 were established by X-ray crystallography. The complex 2 was found to be an active catalyst for the C{\textendash}H bond alkylation of benzothiazole with alkyl halides containing β{\textendash}hydrogen atoms. Graphical abstract: Synopsis. Six-membered pincer nickelacycles have been synthesized and structurally characterized, which show catalytic activity for the C{\textendash}H bond alkylation of benzothiazole with alkyl halides containing β{\textendash}hydrogen atoms.[Figure not available: see fulltext.].

}, keywords = {Active catalyst, Alkyl halides, Alkylation, Atoms, Benzothiazole, Benzothiazoles, Catalyst activity, Chemical activation, Crystallography, C{\textendash}H activation, Hydrogen atoms, Nickelacycles, Pincer complex, Pincer complexessix-membered nickelacycle, six-membered nickelacycle, Spectrum analysis, Synthesis (chemical), Synthesis and characterizations, X ray crystallography}, issn = {0974-3626}, doi = {10.1007/s12039-017-1338-7}, author = {Pandiri, H. and Sharma, D.M. and Gonnade, R.G. and Punji, B.} } @article {43864, title = {Synthesis and tunable thermoresponsive solution morphologies of 2,2-bis-methylolpropionic acid dendron-azobenzene-poly(N-isopropyl acrylamide) copolymers}, journal = {Polymer International}, volume = {66}, year = {2017}, month = {JUL}, pages = {1084-1093}, type = {Article}, abstract = {Amphiphilic temperature- and photoresponsive linear-dendritic block copolymers comprising second-generation acetonide-2,2-bis-methylolpropionic acid-based polyester dendron and linear poly(N-isopropyl acrylamide) (PNIPAM) linked by an azobenzene unit were synthesized using atom transfer radical polymerization (ATRP) followed by click chemistry. Linear PNIPAM precursor was prepared from an azide-functionalized azobenzene containing ATRP initiator. Two polymers obtained by varying the chain length of the PNIPAM block showed different morphologies and lower critical solution temperature (LCST) values in aqueous solution. Complete change in morphology of the two polymers into large spherical aggregates and nanotubes, respectively, was observed upon heating the micellar solution above LCST. The azobenzene unit was found to undergo trans-cis photoisomerization in the assemblies and caused a change in the microenvironment of an encapsulated hydrophobic dye without any release. Acetonide groups on the dendron were deprotected to afford hydroxylated polymer that showed well-defined morphologies above the LCST and after heating-cooling cycle while significant dye encapsulation was seen only above the LCST. (c) 2017 Society of Chemical Industry}, doi = {10.1002/pi.5363}, author = {Kalva, Nagendra and Ambade, Ashootosh V.} } @article {44041, title = {Synthesis, antimycobacterial screening and molecular docking studies of 4-aryl-4'-methyl-2'-aryl-2,5'-bisthiazole derivatives}, journal = {Medicinal Chemistry Research}, year = {2017}, month = {JUL}, type = {Article}, abstract = {A series of 4-aryl-4'-methyl-2'-aryl-2,5'-bisthia- zole derivatives (5a{\textendash}o) were synthesized and screened for inhibitory activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743) strains. Five lead compounds (5e, 5f, 5g, 5h, and 5o) were further confirmed from their dose dependent effect against MTB and Bovine{\textendash}Calmette{\textendash}Guerin. The most promising compounds 5f (MIC90: 11.32 μg/mL), 5h (MIC90: 11.59 μg/mL), and 5o (MIC90: 23.64 μg/mL) showed strong antitubercular activity against dormant MTB and BCG as well as almost insignificant cytotoxicity up to 100μg/mL against HeLa, A549, and PANC-1 human cancer cell lines. Further, the synthesized compounds were found to have potential antibacterial activity against Gram-negative bac- teria, Escherichia coli, Pseudomonas flurescence and Gram- positive bacteria, Staphylococcus aureus, Bacillus subtilis. Most of the synthesized compounds showed moderateactivity against fungal strain Candida albicans. Molecular docking studies of these compounds showed significant interactions with crystal structure of the cytochrome P45014α-sterol demethylase (CYP51) PDB ID: 1E9X. Hydrogen bond interactions with SER261 and VAL395 are important interactions for selective inhibition of designed inhibitors. Compounds 5f, 5h, and 5o showed significant interactions with 1E9X. All the experimental results promote us to consider this series as a starting point for the devel- opment of novel, selective and more potent antitubercular agents in the future.}, doi = {10.1007/s00044-017-1988-5}, author = {Abhale, Yogita K. and Shinde, Abhijit D. and Deshmukh, Keshav K. and Nawale, Laxman U. and Sarkar, Dhiman and Choudhari, Prafulla B. and Kumbhar, Santosh S. and Mhaske, Pravin C.} } @article {43971, title = {Synthesis, antitubercular and antimicrobial potential of some new thiazole substituted thiosemicarbazide derivatives}, journal = {Medicinal Chemistry Research}, volume = {26}, year = {2017}, month = {JUN}, chapter = {2557-2567}, abstract = {

The increase in antibiotic resistance due to multiple factors has warranted the need for the search of new compounds which are active against multidrug resistant pathogens. In this context a small focused library of thiosemicarbazide derivatives of 2-arylthiazole-4-carbaldehyde, 4-methyl-2-arylthiazole-5-carbaldehyde and 1-(4-methyl-2-arylthiazol-5-yl) ethanone, (5a{\textendash}l) has been synthesized. The title compounds were screened for inhibitory activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis Bacille Calmette Guerin (ATCC 35743) strains. The synthesized compounds, 5a{\textendash}l were further assayed for their cytotoxic activity against the two human cancer cell lines, HeLa and human colon carcinoma 116 cell lines and showed no significant cytotoxic activity against these two cell lines at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antibacterial activity against Gram-negative bacteria, Escherichia coli, Pseudomonas flurescence and Gram-positive bacteria, Staphylococcus aureus, Bacillus subtilis. Most of the synthesized compounds showed moderate activity against fungal strain Candida albicans. This study provides valuable directions to our ongoing endeavor of rationally designing more potent antimycobacterial agent. {\textcopyright} 2017, Springer Science+Business Media, LLC.

}, keywords = {Antimicrobial activity, Antitubercular activit, Cytotoxicity, Thiazole, Thiosemicarbazide}, issn = {1054-2523}, doi = {10.1007/s00044-017-1955-1}, author = {Abhale, Y. K. and Shinde, A. and Deshmukh, K. K. and Nawale, L. and Sarkar, D. and Mhaske, P. C.} } @article {44091, title = {Synthesis, biological evaluation, and molecular docking studies of novel 3-aryl-5-(alkyl-thio)-1H-1,2,4-triazoles derivatives targeting Mycobacterium tuberculosis}, journal = {Chemical Biology \& Drug Design}, volume = {90}, year = {2017}, month = {DEC}, pages = {1206-1214}, type = {Article}, abstract = {A small library of new 3-aryl-5-(alkyl-thio)-1H-1,2,4-triazoles was synthesized and screened for the antimycobacterial potency against Mycobacterium tuberculosis H37Ra strain and Mycobacterium bovis BCG both in active and dormant stage. Among the synthesized library, 25 compounds exhibited promising anti-TB activity in the range of IC(50)0.03-5.88g/ml for dormant stage and 20 compounds in the range of 0.03-6.96g/ml for active stage. Their lower toxicity (>100g/ml) and higher selectivity (SI=>10) against all cancer cell lines screened make them interesting compounds with potential antimycobacterial effects. Furthermore, to rationalize the observed biological activity data and to establish a structural basis for inhibition of M.tuberculosis, the molecular docking study was carried out against a potential target MTB CYP121 which revealed a significant correlation between the binding score and biological activity for these compounds. Cytotoxicity and in vivo pharmacokinetic studies suggested that 1,2,4-triazole analogues have an acceptable safety index, in vivo stability and bio-availability.}, doi = {10.1111/cbdd.13040}, author = {Rode, Navnath D. and Sonawane, Amol D. and Nawale, Laxman and Khedkar, Vijay M. and Joshi, Ramesh A. and Likhite, Anjali P. and Sarkar, Dhiman and Joshi, Rohini R.} } @article {43792, title = {Synthesis, characterization and electrochemical investigations of mixed-ligand copper(II)-organic supramolecular frameworks}, journal = {Journal of Molecular Structure}, volume = {1147}, year = {2017}, month = {NOV}, pages = {549-557}, type = {Article}, abstract = {

Two mixed-ligand copper(II)-organic coordination compounds with 5,5{\textquoteright}-dimethyl-2,2{\textquoteright}-bipyridine (5,5{\textquoteright}-Me(2)bpy) as a primary ligand while aliphatic malonate (Hmal) and aromatic 2-hydroxynicotinate (2-OHNA) as secondary ligands, were synthesized. These complexes are formulated as: [Cu(Hmal)(5,5{\textquoteright}-Me(2)bPY)(H2O)](ClO4) 1 and [Cu-2(2-OHNA)(2)(5,5{\textquoteright}-Me(2)bpy)(2)(NO3)KNO3) 2. These two complexes were structurally characterized by single crystal X-ray diffraction analysis. Characterization was further supported by powder X-ray diffraction analysis, elemental analyses, FT-IR, FAB-MASS and TGA, DSC studies. Cyclic voltammetric and UV-visible spectral studies of these two complexes have also been done. The electrochemical studies of complex 1 in DMSO and DMF have shown that this complex undergoes quasi reversible diffusion-controlled one-electron transfer reaction without any chemical complication while complex 2 in DMSO undergoes quasi-reversible diffusion-controlled one electron transfer reaction, following EC mechanism. The electrochemical behaviour of complex 2 in DMF is complicated probably due to presence of more than one species in solution phase. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {2 {\textquoteright}-bipyridine, 3, 5, 5 {\textquoteright}-dimethyl-2, 5-Tricarboxylic acid, Benzene-1, classification, Co-ordination-Compounds, Crystal-structures, cyclic voltammetry, magnetic properties, metal organic framework, Mixed-ligand complex, pi-pi stacking interaction, Polymers, Secondery Building Unit, Structural data, Supramolecular framework, Ternare Komplexe, X-ray diffraction}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2017.06.128}, author = {Singh, Sandeep K. and Srivastava, Ashish Kumar and Srivastava, Krishna and Banerjee, Rahul and Prasad, Jagdish} } @article {43788, title = {Synthesis of amphiphilic isoindigo co-polymers for organic field effect transistors: A comparative study}, journal = {Journal of the apllied polymer science}, volume = {134}, year = {2017}, month = {NOV}, chapter = {45461}, abstract = {

In this work, the amphiphilic isoindigo (am-iInd) based conjugated polymers namely poly(am-iInd-DT) and poly(am-iInd-TT) and their regular counterpart poly(reg-iInd-DT) and poly(reg-iInd-TT) were synthesized to compare their opto-electronic and charge transport properties. They were used to fabricate organic field effect transistors. Charge transport properties in conjugated polymers depend upon intermolecular interaction which is strongly affected by the nature of side chains. The amphiphilic nature of the conjugated polymers has little impact on the charge transport properties. The charge carrier mobility of amphiphilic conjugated polymers was comparable with the regular polymers except poly(reg-iInd-DT) which can be correlated by X-ray diffraction and thin film morphology. (c) 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45461.

}, keywords = {Alkyl, Applications; Conducting polymers; Copolymers; Optical and Photovoltaic applications, conjugated polymers, High-performance, mobility, Packaging, Semicondoctors, Side-chains, Solar-cells, Thin-film Transformer}, issn = {0021-8995}, doi = {10.1002/app.45461}, author = {Dharmapurikar, Satej S. and Arulkashmir, Arulraj and Mahale, Rajashree Y. and Chini, Mrinmoy Kumar} } @article {43361, title = {Synthesis of annulated bis-indoles through Au(I)/br{\o}nsted acid-catalyzed reactions of (1H-indol-3-yl)(aryl)methanols with 2-(arylethynyl)-1H-indoles}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {DEC}, pages = {863 - 869}, abstract = {A general method to access annulated bis-indoles from (1H-indol-3-yl)(aryl)methanols and 2-(arylethynyl)-1H-indoles under the catalysis of the Ph3PAuOTf/Br{\o}nsted acid binary catalyst system has been developed. The reaction was found to proceed in a highly efficient manner and benefit from easy-to-make starting materials, broad substrate scope and operational simplicity. The potential of this method has also been exemplified for the synthesis of pyrrole-annulated indoles using 2-(phenylethynyl)-1H-indoles and phenyl(1H-pyrrol-2-yl)methanols. Furthermore, the use of a ternary catalyst system, involving PdCl2/Br{\o}nsted acid/Ph3PAuOTf catalysts, has been realized for the synthesis of annulated bis-indoles starting directly from 2-(phenylbuta-1,3-diyn-1-yl)aniline and (1H-indol-3-yl)(aryl)methanol. Mechanistically, this reaction is very interesting since the overall process involves three different catalytic cycles catalyzed by three different catalysts in a relay fashion.}, doi = {10.1039/C6OB02595A}, author = {Patil, Nitin T. and Inamdar, Suleman M. and Gonnade, Rajesh Ghanshyam} } @article {43924, title = {Synthesis of copper nanoparticles in presence of surfactants and evaluation of heat transfer performance of copper nanofluid}, journal = {Journal of Nanofluids}, volume = {6}, year = {2017}, month = {APR}, pages = {334-342}, type = {Article}, abstract = {

Copper nanoparticles were synthesized by reduction of copper nitrate hexahydrate using glucose as a green reducing agent. Effect of various synthesis parameters such as the amount of reducing agent, type of surfactant, the concentration of surfactant on particle size and morphology has been studied. Particles thus synthesized were characterized using analytical tools like X-ray Diffraction (XRD), Dynamic Light Scattering (DLS) and Scanning Electron Microscopy (SEM). XRD results show copper peaks at 2 angles 43.34, 50.48 and 74.19{\textdegree} corresponding to the planes (111), (200) and (220) respectively and possessing FCC (Face Centred Cubic) crystal lattice and polydispersed particles with crystallite size ranging from 43 to 103 nm. Further Cu nanoparticles were dispersed in water to prepare nanofluid and heat transfer properties such as heat transfer coefficient, viscosity and density were evaluated. Nanofluid models proposed elsewhere were also used for theoretical property evaluations. Nearly 100\% increase in heat transfer coefficient was observed at 1\% (by volume) particle concentration of copper nanoparticles in water.

}, keywords = {Chemical Reduction, Copper nanoparticles, green synthesis, Nanofluids, surfactant}, issn = {2169-432X}, doi = {doi.org/10.1166/jon.2017.1316}, author = {Kapadnis, Chetan V. and Gundeli, Kartik P. and Saini, Daulat R. and Bhatkhande, Dhananjay S.} } @article {43526, title = {Synthesis of extended conjugated indolyl chalcones as potent anti-breast cancer, anti-inflammatory and antioxidant agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {27}, year = {2017}, month = {APR}, pages = {1502-1507}, abstract = {In the present investigation, synthesis of a series of extended conjugated delta-chloro-alpha-cyano substituted indolyl chalcones (5a-p) was accomplished by reacting 3-cyanoacetylindole 2 with 3-chloro-3-phenylpropenal 4 in the presence of piperidine. The structural interpretations of newly synthesized compounds were based on chemical and spectroscopic evidences. Anti-tumor evaluation of the synthesized compounds in vitro against MCF-7 (breast carcinoma) cell line revealed that they possess high anti-tumor activities. Among them, compound 5e and 5a demonstrated excellent activity against breast carcinoma (GI(50) <0.1 and mu M respectively) as good as adriamycin (GI(50) <0.1 mu M). The compounds were also screened against the normal Vero monkey cell line, which showed moderate selectivity against inhibition of cancer cells. The effect of extended conjugation on activity authenticated by comparing activity profile of compound 5a, 5i and 5m with their simple analogues. Among the synthesized compounds, 5i and 51 were found to be active anti-inflammatory agents in addition to having noteworthy antioxidant potential. These results suggest the possible use of these compounds for the design and development of novel anti breast cancer agents. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.bmcl.2017.02.052}, author = {Bhale, Pravin S. and Chavan, Hemant V. and Dongare, Sakharam B. and Shringare, Sadanand N. and Mule, Yoginath B. and Nagane, Samadhan S. and Bandgar, Babasaheb P.} } @inbook {45775, title = {Synthesis of fluorinated heterocycles via multicomponent reactions}, booktitle = {Multicomponent reactions: synthesis of bioactive heterocycles}, year = {2017}, pages = {183-199}, publisher = {CRC Press}, organization = {CRC Press}, chapter = {Synthesis of fluorinated heterocycles via multicomponent reactions}, abstract = {Fluorine is one of the most important elements in the periodic table because it is the most electronegative element, makes the strongest C-F bond, and is more polarized in organic synthesis. These unique and distinctive properties of fluorine make it very useful and widely applicable in the pharmaceutical and agrochemical industries. Hydrogen replaced with the fluorine of an organic compound can tune the pharmacokinetic and pharmacological properties of the molecule, which improve solubility, membrane permeability, 184metabolic stability, and receptor-binding properties compared with nonfluorinated analogs.1 Due to these unique properties of fluorine, organofluorine compounds are very applicative in medicinal, pharmaceutical, agrochemical, and material chemistry. This wide applicability of fluorine and organofluorine compounds attracts the attention of researchers and chemists. Labeled fluorine-18 is one of the most commonly used positron emitting radioisotopes in positron emission tomography (PET) imaging technology, which can detect presymptomatic biochemical changes in body tissues. In addition to its use in PET-CT, fluorine is used in preparation of chemically resistant polymer materials such as polytetrafluoroethylene (Teflon) or polarity to piezoelectric material such as polyvinylidene fluoride and organic liquid crystals for displays. Because of these many advantages of fluorine, organic chemists have developed various methods to introduce fluorine in organic molecules. During the last two decades, numerous organofluorine heterocyclics have been developed; in this chapter, we have summarized synthesis of multicomponent reactions (MCRs) in application of fluorine compound synthesis.}, issn = { 978-149873419-6}, doi = {10.1201/9781315369754}, author = {Shinde, S. S. and Thore, S. N. and Pawar, R. P. and Ameta, K. L. and Patil, S. N.} } @inbook {45804, title = {Synthesis of functional polymers of polar and nonpolar monomers by living and/or controlled polymerization}, booktitle = {Functional polymers: design, synthesis, and applications}, year = {2017}, pages = {3-56}, publisher = {Apple Academic Press}, organization = {Apple Academic Press}, chapter = {Synthesis of functional polymers of polar and nonpolar monomers by living and/or controlled polymerization}, isbn = {978-177188297-2}, issn = {978-177188296-5}, doi = {10.1201/9781315366524}, author = {Chowdhury, S. R. and Sivaram, S.} } @article {43565, title = {Synthesis of functionalized β-keto arylthioethers by the aryne induced [2,3] Stevens rearrangement of allylthioethers}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {MAR}, pages = {4470{\textendash}4476}, type = {Article}, chapter = {4470{\textendash}4476}, abstract = {A mild and transition-metal-free synthesis of β-keto arylthioethers has been developed by the aryne triggered [2,3] Stevens rearrangement of allylthioethers. The key sulfur ylide intermediate for the rearrangement was formed by the S-arylation of allylthioethers with arynes generated from 2-(trimethylsilyl)aryl triflates using CsF. Later, the reaction products are converted into valuable heterocycles in two steps.}, doi = {10.1021/acs.joc.7b00479}, author = {Thangaraj, Manikandan and Gaykar, Rahul N. and Roy, Tony and Biju, Akkattu T.} } @article {43686, title = {Synthesis of gamma-WO3 thin films by hot wire-CVD and investigation of its humidity sensing properties}, journal = {Physica Status Solidi A-Applications and Materials Science}, volume = {214}, year = {2017}, month = {MAY}, pages = {Article Number: 1600717}, type = {Article}, abstract = {In this study, monoclinic tungsten oxide (gamma-WO3) have been grown in a single step using HW-CVD method by resistively heating W filaments in a constant O-2 pressure. The formation of gamma-WO3 was confirmed using low angle-XRD and Raman spectroscopy analysis. Low angle-XRD analysis revealed that as-deposited WO3 film are highly crystalline and the crystallites have preferred orientation along the (002) direction. HRTEM analysis and SAED pattern also show the highly crystalline nature of WO3 with d spacing of similar to 0.38 nm, having an orientation along the (002) direction. Surface topography investigated by SEM analysis shows the formation of a uniform and homogeneous cauliflower like morphology throughout the substrate surface without flaws and cracks. A humidity sensing device incorporating WO3 is also fabricated, which shows a maximum humidity sensitivity factor of similar to 3954\% along with a response time of similar to 14 s and a recovery time of similar to 25 s. The obtained results demonstrate that it is possible to synthesize WO3 in a single step by HW-CVD method and to fabricate a humidity sensor by using it. (C) 2017 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim}, doi = {10.1002/pssa.201600717}, author = {Jadkar, Vijaya and Pawbake, Amit and Waykar, Ravindra and Jadhavar, Ashok and Date, Abhijit and Late, Dattatray and Pathan, Habib and Gosavi, Suresh and Jadkar, Sandesh} } @article {43893, title = {Synthesis of isohexide-di(ether-ene)s and ADMET polymerization}, journal = {Green Materials}, volume = {5}, year = {2017}, month = {JUN}, type = {Article}, abstract = {As the fossil fuel reserves deplete and the greenhouse gases increase, the scientific community is challenged to provide sustainable solutions. Sugar-based isohexides can be modified to prepare a library of isohexide-diene monomers for polymerization. Such isohexide diene monomers can be subjected to Acyclic Diene Metathesis Polymerization to obtain green materials. Here we report a single step synthetic protocol to access a small family of isohexide-di(ether-ene)s and the corresponding polymers. The isohexide di(ether-ene)s 2a-2c could be isolated in good to excellent yields under optimized conditions. The resultant isohexide-di(ether-ene)s 2a-2c are potential versatile building blocks for pharmaceuticals and material science. The synthetic utility of 2a-2c was demonstrated by subjecting them to ADMET polymerization using Grubbs 1st and 2nd generation catalysts. The resultant viscous material was evaluated using 1H NMR and MALDI-ToF-MS, which suggests the formation of anticipated ADMET polymers}, doi = {10.1680/jgrma.16.00017}, author = {Rajput, Bhausaheb S. and Lekshmy, Kalpakasseril Girija and Menon, Shamal K. and Chikkali, Samir H.} } @article {43815, title = {Synthesis of meta-substituted monodentate phosphinite ligands and implication in hydroformylation}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {AUG}, pages = {1143-1152}, type = {Article}, abstract = {Synthesis of meta-substituted phosphinite ligands 3,3{\textquoteright}-(methoxyphosphanediyl) bis(N, N-diethylaniline) (4a) and methoxybis(3-methoxyphenyl) phosphane (4b), in high yields, has been demonstrated. Typical phosphorus chemical shift between 110-120 ppm, appearance of methoxy protons and corresponding carbon, as well as ESI-MS spectra unambiguously confirmed the existence of phosphinite ligands 4a and 4b. To demonstrate the synthetic usefulness of 4a and 4b, these ligands were tested in the rhodium catalyzed hydroformylation of 1-octene. The diethylamine substituted ligand 4a was found to be highly active, whereas 4bwas less reactive but revealed slightly better regioselectivity of 62\% under optimized conditions. Additionally, 4a and 4b were found to catalyze the hydroformylation of styrene, 1-undecenol and 1,1-disubstituted functional olefin, methyl methacrylate. Both the ligands displayed excellent conversion of styrene, and 4b revealed an excellent branch selectivity of 75\%. Although 1-undecenol proved to be amenable to hydroformylation (85-90\% conversion to aldehyde), both the ligands failed to discriminate between the linear and branched products. Substrate methyl methacrylate proved to be highly challenging and reduced conversion (between 33-42\%) was observed under optimized conditions. Ligand 4a was found to be highly selective towards linear aldehyde (81\% linear selectivity).}, doi = {10.1007/s12039-017-1341-z}, author = {Deshmukh, Satej S. and Gaikwad, Shahaji R. and Pandey, Swechchha and Mali, Pramod S. and Chikkali, Samir H.} } @article {45680, title = {Synthesis of methyl-protected (+/-)-chlorizidine A}, journal = {Organic Letters}, volume = {19 }, year = {2017}, month = {MAY}, pages = {2774-2776}, type = {Article}, chapter = {10 }, abstract = {The first total synthesis of the methyl-protected (+/-)-chlorizidine A has been achieved in 10 steps. Pd-catalyzed decarboxylative coupling and late-stage oxidation were utilized to, construct the 5H-pyrrolo[2,1-a]isoindol-5-one scaffold. Samarium(II) iodide mediated Reformatsky reaction and intramolecular Mitsunobu reactions were efficiently applied for the synthesis of the 2,3-dihydropyrrolizine ring system. Chlorizidine A is highly prone to degradation; hence, methyl-protected (+/-)-chlorizidine A was prepared.}, doi = {10.1021/acs.orglett.7b01090}, author = {Mahajan, Jyoti P. and Mhaske, Santosh B.} } @article {42943, title = {Synthesis of novel triazole-incorporated isatin derivatives as antifungal, antitubercular, and antioxidant agents and molecular docking study}, journal = {Journal of Heterocyclic Chemistry}, volume = {54}, year = {2017}, month = {JAN}, type = {Article}, abstract = {

A library of 1,2,3-triazoles efficiently prepared via click chemistry and evaluated for their antifungal, antitubercular, antioxidant, cytotoxicity, molecular docking and ADME prediction.

}, doi = {10.1002/jhet.2598}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Nawale, Laxman and Arkile, Manisha A. and Sarkar, Dhiman and Shingate, Bapurao B.} } @article {43730, title = {Synthesis of o-methyl trifluoromethyl sulfide substituted benzophenones via 1,2-difunctionalization of aryne by insertion into the C-C bond}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {APR}, pages = {2134-2137}, type = {Article}, abstract = {An efficient process for the preparation of valuable o-methyl trifluoromethyi sulfide substituted benzopheriones has been developed. The transition-metal-free method features insertion of aryne into a C-C sigma-bond under mild reaction conditions for the first time to achieve ortho-difunctionalized arenes containing a pharmaceutically important trifluoromethylthio functional group. A wide substrate, scope has been demonstrated for the developed protocol.}, doi = {10.1021/acs.orglett.7b00768}, author = {Ahire, Milind M. and Khan, Ruhima and Mhaske, Santosh B.} } @article {44033, title = {Synthesis of orthorhombic-molybdenum trioxide (α-MoO3) thin films by hot wire-CVD and investigations of its humidity sensing properties}, journal = {Journal of Materials Science Materials in Electronics}, volume = {1}, year = {2017}, month = {JUL}, type = {Article}, abstract = {In present work, we report synthesis of orthorhombic-molybdenum trioxide (α-MoO 3) thin films using home-build hot wire-CVD (HW-CVD) method simply by heating the Mo filament in a controlled O 2 atmosphere. The formation of α-MoO 3 was confirmed by low angle-XRD and Raman spectroscopy. Low angle-XRD analysis revealed that α-MoO 3 crystallites have orientations along (110), (101) and (111) directions while Raman spectroscopy analysis shows two prominent vibrational modes ~819 and ~994 cm -1 associated with Mo 2{\textendash}O and Mo=O respectively. SEM and TEM analysis show the formation of nano-sheets like morphology of α-MoO 3 thin films. The SAED pattern shows highly crystalline nature of α-MoO 3. The humidity-sensing properties were investigated at room temperature by fabricating the two probe device. The humidity sensing results showed n-type behavior of α-MoO 3. The maximum humidity sensitivity of ~6957\% along with response time of ~66 s and recovery time of ~5 s were observed for α-MoO 3 thin film humidity sensor device. Our results have opened up a new avenue to grow α-MoO 3 for humidity sensor applications.}, doi = {10.1007/s10854-017-7473-6}, author = {Jadkar, Vijaya and Pawbake, Amit S. and Waykar,Ravindra G. and Jadhavar, Ashok Arjun and Mayabadi, Azam and Date, Abhijit and Late, Dattatray J. and Pathan, Habib M. and Gosavi, Suresh W. and Jadkar, Sandesh R.} } @article {44412, title = {Synthesis of succinimide derivatives by NHC-catalyzed stetter reaction of aromatic aldehydes with N-substituted itaconimides}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {OCT}, pages = {6598{\textendash}6604}, abstract = {

An N-heterocyclic carbene-catalyzed intermolecular Stetter reaction of aromatic aldehydes with N-substituted itaconimides has been developed. A delicate balance between the Stetter reaction and the competing isomerization of the itaconimide double bond has been achieved in this operationally simple reaction to afford valuable new succinimide derivatives containing 1,4 and 1,5 dicarbonyl scaffolds in good to excellent yields. The reaction tolerates variable substituents on both aldehydes and N-substituted itaconimides.

}, doi = {10.1021/acsomega.7b01213}, author = {Ahire, Milind M. and Mhaske, Santosh B.} } @article {44019, title = {Synthesis of water soluble CdS nanoparticles and study of their DNA damage activity}, journal = {Arabian Journal of Chemistry}, volume = {10}, year = {2017}, month = {MAY}, pages = {3929-S3935}, type = {Article}, abstract = {

This study reports a novel method for preparation of water soluble CdS nanoparticles using leaf extract of a plant, Asparagus racemosus. The extract of the leaf tissue which worked as a stabilizing and capping agent, assisted the formation of nanoparticles. Nanoparticles were characterized using a UV{\textendash}vis spectrophotometer, Photoluminescence, TEM, EDAX, XRD and FT-IR. Transmission electron microscopy followed by selected area electron diffraction pattern analysis indicated the formation of spherical, polydispersed, crystalline, CdS of diameter ranging from 2 to 8 nm. X-ray diffraction studies showed the formation of 1 1 1, 2 2 0 and 3 1 1 planes of face-centered cubic (fcc) CdS. EDAX analysis confirmed the presence of Cd and S in nanosphere. The cytotoxicity test using MTT assay as well as DNA damage analysis using comet assay revealed that synthesized nano CdS quantum dots (QDs) caused less DNA damage and cell death of lymphocytes than pure CdS nanoparticles.

}, issn = {1878-5352}, doi = {10.1016/j.arabjc.2014.05.033}, author = {Prasad, K. S. and Amin, T. and Katuva, S. and Kumari, Madhu and Selvaraj, Kaliaperumal} } @article {44125, title = {Synthesis route to pyrrolones from -cyano ,-unsaturated ketones and -isocyano esters by oxidative dearomatization of 2-aminofuran intermediates}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {NOV}, pages = {6427-6433}, type = {Article}, abstract = {An efficient method for the catalyst/promoter-free synthesis of tetrasubstituted furan derivatives proceeding through the [4+1] cycloaddition of isocyanoacetates with electron-deficient olefins was developed. The products were obtained in good to excellent yields without any column chromatography. Oxidative dearomatization of these furans was achieved only in the presence of oxygen, which led to pyrrolones in high yields.}, doi = {10.1002/ejoc.201701194}, author = {Mahida, Anil K. and Kale, Someshwar B. and Das, Utpal} } @article {45705, title = {Synthesis, structure and DNA interaction studies of bisphosphoramides: theoretical and experimental insights}, journal = {Inorganica Chimica Acta}, volume = {461}, year = {2017}, month = {MAY }, pages = {84-91}, type = {Article}, abstract = {

New bisphosphoramides (having phenyl (EDAPOPh(2)) and ethoxy (EDADEP) substituents attached to phosphoryl groups bridged with ethylenediamine spacer) are synthesized and structurally characterized by spectroscopic techniques as well as elemental analysis. The molecular structure of EDAPOPh(2) was determined by single crystal X-ray diffraction technique. The interaction of these bisphosphoramides with calf thymus DNA (ct-DNA) is investigated using UV-Visible absorption and fluorescence spectral data as well as the DFT calculations. These studies reveal that EDAPOPh(2) and EDADEP interact with DNA in a partial intercalation mode. The intrinsic binding constants K-b of two different bisphosphoramides with ct-DNA were determined by fluorescence spectroscopy as 2.08 x 10(4) and 3.86 x 10(4) M-1 respectively. The results indicated that the two compounds bind to ct-DNA with different binding affinities, i.e. EDAPOPh(2) \> EDADEP. The binding mechanism of these bisphosphoramides to ct-DNA is also discussed. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {Bisphosphoramides, crystal structure, DNA interaction, Molecular docking}, issn = {0020-1693}, doi = {10.1016/j.ica.2017.02.017}, author = {Goud, E. Veerashekhar and Sivaramakrishna, Akella and Vijayakrishna, Kari and Rao, C. V. S. Brahmmananda and Khedkar, Vijay M. and Jha, Prakash C.} } @article {44166, title = {Synthetic manipulation of hybrid perovskite systems in search of new and enhanced functionalities}, journal = {ChemSusChem}, volume = {10}, year = {2017}, month = {OCT}, pages = {3722-3739}, type = {Article}, abstract = {Over the past few years the organic-inorganic hybrid perovskite systems have emerged as a promising class of materials for photovoltaic and electroluminescent thin-film device applications, in view of their unique set of tunable optoelectronic properties. Importantly, these materials can be easily solution-processed at low temperatures and as such are amenable to facile molecular engineering. Thus, a variety of low-dimensional forms and quantum structures of these materials can be obtained through strategic synthetic manipulations through small molecule incorporation or molecular ion doping. In this Minireview, we specifically focus on these approaches and outline the possibilities of utilizing these for enhanced functionalities and newer application domains.}, doi = {10.1002/cssc.201701093}, author = {Naphade, Rounak and Nagane, Satyawan and Bansode, Umesh and Tathavadekar, Mukta and Sadhanala, Aditya and Ogale, Satishchandra} } @article {45683, title = {Systematic comparison of the response properties of protein and RNA mediated gene regulatory motifs}, journal = {Molecular BioSystems}, volume = {13 }, year = {2017}, month = {JUN}, pages = {1235-1245}, type = {Article}, abstract = {We present a framework enabling the dissection of the effects of motif structure (feedback or feedforward), the nature of the controller (RNA or protein), and the regulation mode (transcriptional, post-transcriptional or translational) on the response to a step change in the input. We have used a common model framework for gene expression where both motif structures have an activating input and repressing regulator, with the same set of parameters, to enable a comparison of the responses. We studied the global sensitivity of the system properties, such as steady-state gain, overshoot, peak time, and peak duration, to parameters. We find that, in all motifs, overshoot correlated negatively whereas peak duration varied concavely with peak time. Differences in the other system properties were found to be mainly dependent on the nature of the controller rather than the motif structure. Protein mediated motifs showed a higher degree of adaptation i.e. a tendency to return to baseline levels; in particular, feedforward motifs exhibited perfect adaptation. RNA mediated motifs had a mild regulatory effect; they also exhibited a lower peaking tendency and mean overshoot. Protein mediated feedforward motifs showed higher overshoot and lower peak time compared to the corresponding feedback motifs.}, doi = {10.1039/c6mb00808a}, author = {Iyengar, Bharat Ravi and Pillai, Beena and Venkatesh, K. V. and Gadgil, Chetan J.} } @article {44390, title = {Salts and salt cocrystals of the antibacterial drug pefloxacin}, journal = {Crystal Growth \& Design}, volume = {18}, year = {2018}, month = {MAY}, pages = {2824-2835}, abstract = {Pefloxacin (PEF) is an amphoteric, antibacterial drug which exists as a neutral molecule in the crystal structure stabilized by C-H center dot center dot center dot O and C-H center dot center dot center dot F interactions. The design of multicomponent solids using crystal engineering was undertaken in a cocrystal/salt screen of PEF with generally recognized as safe (GRAS) dicarboxylic acids to improve the solubility and phase stability of the drug. Ten multicomponent forms, namely, five salts, two salt hydrates, and three salt cocrystals, were prepared by liquid-assisted grinding followed by crystallization. In some cases, salt and salt cocrystals were obtained concomitantly during solution evaporative crystallization. Single crystal X-ray diffraction showed that the structures are stabilized by N+-H center dot center dot center dot O-, O-H center dot center dot center dot O, C-H center dot center dot center dot O, C-H center dot center dot center dot F, and pi-pi stacking interactions. The bulk phase purity of multicomponent forms was characterized by powder X-ray diffraction, spectroscopy, and thermal techniques. The salt/salt cocrystal forms exhibit a faster dissolution rate and higher solubility compared to pure PEF in pH 1.2 (acidic, like gastric environment) and pH 7 phosphate buffer media (neutral, like intestinal passage). Specifically the PEF+-SA(-) salt (SA = succinic acid) showed remarkably high solubility, dissolution rate, and stability compared to the other multicomponent forms and PEF neutral form. The drug formulation compatible pefloxacin succinate is a promising soluble and stable PEF salt.}, doi = {10.1021/acs.cgd.7b01600}, author = {Gunnam, Anilkumar and Suresh, Kuthuru and Nangia, Ashwini} } @article {44392, title = {Selective N-acetylation with concurrent S-oxidation of o-amino thiol at ambient conditions over Ce doped ZnO composite nanocrystallites}, journal = {Molecular Catalysis}, volume = {450}, year = {2018}, month = {MAY}, pages = {19-28}, abstract = {The oxidative S-S coupling of thiol to disulfide is an imperative chemical transformation in the domain of biological processes and also finds numerous chemical applications. The CeO2 and ZnO are significant catalysts for oxidation of thiol to disulfide and N-acetylation of amines respectively. Dithiobis(phenylene)bis(benzyldeneimine) moiety containing N-acetyl and disulfide functional groups is a potential antimicrobial agent with Leishmanicidal and antihyperlipidemic activities. Herein, we report a synchronized catalytic application of Ce doped ZnO (Ce-ZnO) and CeO2-Ce-ZnO composites for selective synthesis of Dithiobis(phenylene)bis(benzyldeneimine) from o-amino thiol. The Ce-ZnO samples were synthesized by simple co precipitation method by calcination of hydroxide precursors at 400 degrees C to get 0-10\% Ce-ZnO nanocrystallites. The formation of CeO2-Ce-ZnO composite material was observed beyond 1.5\% Ce concentration. The synthesized materials were well characterized by IR, XRD, DRS spectroscopy and SEM-EDS analysis. The application of Ce doped ZnO as an efficient catalyst towards the selective N-acetylation and concurrent S-oxidation of o-amino thiol to afford Dithiobis(phenylene)bis(benzyldeneimine) at ambient temperature in acetonitrile was deliberated. Among all screened catalysts, the maximum selectivity was found for 7.5\% Ce-ZnO as CeO2-Ce-ZnO composite catalyst. Lewis acidic property of catalyst supported probable mechanism for achieved dual transformations. Also, the 7.5\% Ce-ZnO catalyst has demonstrated a versatile S-S coupling ability for variety of thiol substrates with excellent stability.}, doi = {10.1016/j.mcat.2018.03.007}, author = {Jagtap, Rohidas and Sakate, Sachin and Pardeshi, Satish} } @article {44639, title = {Selective oxidation of cyclohexane to cyclohexanone using chromium oxide supported mesoporous MCM-41 nanospheres: probing the nature of catalytically active chromium sites}, journal = {ChemCatChem}, volume = {10}, year = {2018}, month = {AUG}, pages = {3291-3298}, abstract = {

Highly dispersed chromium oxide supported mesoporous MCM-41 nanosphere catalysts have been synthesized using a simple wet impregnation method. This work is devoted to a systematic study to reveal the active Cr sites in chromium oxide supported MCM-41 nanosphere catalysts for the selective oxidation of cyclohexane to cyclohexanone. To probe the nature of the active species, we synthesized 0.5-10wt\% Cr loaded catalysts and characterized them by using XRD, UV/Vis spectroscopy, Raman spectroscopy, X-ray photoelectron spectroscopy, extended X-ray absorption fine structure analysis, X-ray absorption near edge structure analysis, N-2 sorption analysis, FTIR spectroscopy, (SiNMR)-Si-29 spectroscopy, SEM, and TEM. The liquid-phase oxidation of cyclohexane to cyclohexanone (99\% selectivity) was performed under mild reaction conditions, and the results reveal clearly that the 5wt\% Cr loaded catalyst was optimum for the reaction. The initial composition of isolated Cr3+ species in the catalyst is the major factor that influences the enhanced activity for cyclohexane oxidation.

}, keywords = {chromium, heterogeneous catalysis, Nanostructures, Oxidation, supported catalysts}, issn = {1867-3880}, doi = {10.1002/cctc.201800309}, author = {Betsy, Kurisingal J. and Nayak, Chandrani and Lazar, Anish and Krishnan, Athira and Bhattacharyya, Dibyendu and Jha, Shambhu N. and Vinod, Chathakudath P.} } @article {45460, title = {Selective production of furanic ethers from lignocellulosic biomass over mesoporous Zr-incorporated SBA-15 catalyst}, journal = {ChemistrySelect }, volume = { 3}, year = {2018}, month = {NOV}, pages = {12504-12511}, type = { Article }, abstract = {Etherification of furanic compounds such as furfuryl alcohol (FA) and 5-(Hydroxymethyl) furfural (5-HMF) to the corresponding ethers was successfully achieved over Zr-SBA-15 catalyst. For this purpose, various Zr-SBA-15 catalysts with different Zr/Si molar ratios in self-generated acidic environment were prepared by one-pot strategy in self-generated acidic environment. XRD analysis revealed the increase in the d-spacing from 9.021 nm for parent SBA-15 to 11.66 nm for Zr-SBA-15, confirming the incorporation of Zr into the framework without disturbing the mesoporous structure of SBA-15. For the lowest Zr concentration of 0.09 M, hexagonally ordered porous structure was found to be retained as confirmed by TEM while, increase in Zr/Si molar ratio to 0.14, resulted in loss of long range order mesoporosity. The presence of both Lewis and Bronsted acid sites in Zr-SBA-15 catalyst as evidenced by py-IR, were due to the introduction of Zr in the frame work of SBA-15. The co-existence of Lewis and Bronsted acid sites in Zr-SBA-15 was responsible to catalyze etherification of FA and esterification of levulinic acid producing 2-(Ethoxymethyl) furan and ethyl levulinate selectively, both of which are bio-derived fuel additives.}, issn = {2365-6549}, doi = { 10.1002/slct.201801939}, author = {Patil, Chetana R. and Rode, Chandrashekhar, V.} } @article {44368, title = {Self-assembly of Cis-configured squaraine dyes at the TiO2-dye interface: far-red active dyes for dye-sensitized solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {10}, year = {2018}, month = {MAY}, pages = {16541-16551}, type = {Article}, abstract = {To synergize both steric and electronic factors in designing the dyes for dye-sensitized solar cells, a series of cis-configured unsymmetrical squaraine dyes P11-P15 with suitably functionalized alkyl groups and squaric acid units containing the electron-withdrawing groups were synthesized, respectively. These dyes capture the importance of (i) the effect and position of branched alkyl groups, (ii) mono- and di-anchoring groups containing dyes, and (iii) further appending the alkyl groups through the cyanoester vinyl unit on the central squaric acid units of DAD-based cis-configured squaraine dyes. All the above factors govern the controlled self-assembly of the dyes on the TiO2 surface which helps to broaden the absorption profile of the dyes with an increased energy-harvesting process. With respect to the position of the branched alkyl groups, dye P11 with the sp(3)-C and N-alkyl groups away from the TiO2 surface showed a better device efficiency of 5.98\% (J(sc) of 14.46 mA cm(-2), V-oc of 0.576 V, and ff of 71.8\%) than its positional isomer P12 with 3.45\% (J(sc) of 8.78 mA cm(-2), V-oc of 0.554 V, and ff of 70.9\%). However, with respect to the dyes containing mono- and di-anchoring groups, P13 with two anchoring units exhibited a superior device performance of 7.58\% (J(sc) of 17.12 mA cm(-2), V-oc of 0.618 V, and ff of 71.7\%) in the presence of optically transparent co-adsorbent CDCA (3 alpha,7 alpha-dihydroxy-5 beta-cholanic acid) than dyes P11 and P12.}, doi = {10.1021/acsami.8b03106}, author = {Punitharasu, Vellimalai and Kavungathodi, Munavvar Fairoos Mele and Nithyanandhan, Jayaraj} } @article {44362, title = {Sensitive electrochemical detection of cardiac troponin I in serum and saliva by nitrogen-doped porous reduced graphene oxide electrode}, journal = {Sensors and Actuators B-Chemical}, volume = {262}, year = {2018}, month = {JUN}, pages = {180-187}, type = {Article}, abstract = {Cardiovascular diseases pose one of the highest mortality risks among all diseases in developed countries, steadily increasing the burden on the health systems. Early diagnosis of cardiovascular diseases has consequently become highly important to decrease mortality and to use more adapted therapeutic decisions. We demonstrate here the utility of nitrogen-doped reduced graphene oxide (N-prGO) for detecting and quantifying of cardiac troponin I (cTnI), a key human cardiac protein biomarker, under physiologically relevant conditions. Non-covalent modification of N-prGO by 1-pyrenecarboxylic acid (py-COOH) and poly(ethylene glycol) modified pyrene (py-PEG) ligands allowed the covalent integration of Tro4 aptamer, known for its high selectivity towards cTnI. Using differential pulse voltammetry (DPV), a label-free electrochemical sensor for cTnI for concentrations down to 1 pgmL(-1) in human serum could be obtained. This sensitive detection arises from the integration of a porous nanomaterial with excellent electrochemical properties being easily amendable to site-specific surface modification. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.snb.2018.01.215}, author = {Chekin, Fereshteh and Vasilescu, Alina and Jijie, Roxana and Singh, Santosh K. and Kurungot, Sreekumar and Iancu, Madalina and Badea, Gabriela and Boukherroub, Rabah and Szunerits, Sabine} } @article {44336, title = {Sensitizing with short conjugated molecules: multimodal anchoring on ZnO nanoparticles for enhanced electron transfer characteristics, stability and H-2 evolution}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {89-97}, type = {Article}, abstract = {Sensitizing semiconductors with organic dyes is usually employed to improve efficiency of semiconductors towards visible light absorption and charge transport. However, till date most of the dyes are either noble metal based with complex and expensive synthesis procedure or have a very narrow absorption band. Further the photostability of the dyes is another important issue. In this work we have studied, using a combination of photophysical and computational methods, ZnO nanoparticles sensitized with transition metal free, cheap and easy to synthesize azoquinoline dye that has been designed to have multiple chelating sites, viz., carboxylic group and hydroxyl imine group as a photocatalyst for water splitting activity. We find that the presence of multiple chelating sites facilitates dual mode of anchoring on ZnO nanoparticles, which leads to enhanced photostability and H-2 generation of the composite. This is attributed to the incorporation of resonance features in the dye that increases electron transfer between ZnO and dye in contrast to the charge accumulation and photo degradation observed in non-conjugated and single site anchoring counterparts. Electron transfer from ZnO to dye under UV light and reverse in visible light could be identified experimentally. Such simple designing aspects can aid in identifying better catalysts for photocatalytic water splitting.}, doi = {10.1016/j.cattod.2017.09.052}, author = {George, Leena and Sappati, Subrahmanyam and Ghosh, Prasenjit and Devi, R. Nandini} } @article {44636, title = {Serum responsive proteome reveals correlation between oxidative phosphorylation and morphogenesis in Candida albicans ATCC10231}, journal = {Journal of Proteomics}, volume = {185}, year = {2018}, month = {AUG}, pages = {25-38}, abstract = {

To understand the impact of fetal bovine serum (FBS) on metabolism and cellular architecture in addition to morphogenesis, we have identified FBS responsive proteome of Candida albicans. FBS induced 34\% hyphae and 60\% pseudohyphae in C. albicans at 30 C while 98\% hyphae at 37 C. LC-MS/MS analysis revealed that 285 proteins modulated significantly in response to FBS at 30 degrees C and 37 degrees C. Out of which 152 were upregulated and 62 were downregulated at 30 degrees C while 18 were up and 53 were downregulated at 37 degrees C. Functional annotation suggests that FBS may inhibit glycolysis and fermentative pathway and enhance oxidative phosphorylation (OxPhos), TCA cycle, amino acid and fatty acid metabolism indicating a use of alternative energy source by C. albicans. OxPhos inhibition assay using sodium azide corroborated the correlation between inhibition of glycolysis and enhanced OxPhos with pseudohyphae formation. C. albicans induced hyphae in response to FBS irrespective of down regulation of Rasl,Asrl/Asr2, indicates the possible involvement of MAPK and cAMP-PKA independent pathway. The Cell wall of cells grown in presence of FBS at 30 degrees C was rich in mannan, Beta 1,3glucan and chitin while membranes were rich in ergosterol compared to those grown at 37 degrees C. Significance of the study: This is the first study suggesting a correlation between OxPhos and morphogenesis especially pseudohyphae formation in C. albicans. Our data also indicate that fetal bovine serum (FBS) induced morphogenesis is multifactorial and may involve MAPK and cAMP-PKA independent pathway. In addition to morphogenesis, our study provides an insight in to the modulation of metabolism and cellular architecture of C. albicans in response to FBS.

}, keywords = {analysis, Candida albicans, Fetal bovin serum, Liquid chromatography mass spectrometry, morphogenesis, Oxidative phosphorylation, pathogenicity}, issn = {1874-3919}, doi = {10.1016/j.jprot.2018.06.018}, author = {Ahmed, Radfan and Kodgire, Santosh and Santhakumari, B. and Patil, Rajendra and Kulkarni, Mahesh J. and Zore, Gajanan} } @article {44569, title = {Silicon oxidation by NAPPES: From dangling bonds to oxygen islands to 2D SiOx layer to the onset of bulk SiO2 formation}, journal = {Journal of Physical Chemistry C}, volume = {122}, year = {2018}, month = {MAR }, pages = {4331-4338}, abstract = {

Valence band and core level photoelectron spectral measurements at near-ambient pressures (NAP; up to 0.5 mbar) were made in the presence of molecular oxygen to explore the various oxidation stages of silicon surfaces. Dangling bonds feature observed on clean Si-surfaces in the valence band at ultrahigh vacuum decreases dramatically due to oxygen adsorption between ambient temperature and up to 400 K at 0.1 mbar of O-2 pressure. The adsorption of oxygen on dangling bonds appears to be localized as islands; this reflects in the surface heterogeneous character and also responsible for the broadening in the oxygen gas phase vibrational features. This is further supported by an increase in the work function and can be correlated to the presence of Hofer (molecular) precursor. When the temperature was increased to 500 K, molecular precursor species dissociates to form Si-=-0 species. This is fully supported by the change in the Si work function as well as from the observation of oxidized Si species from Si 2p core level spectra. At \>= 600 K, the Si-=-0 species dissociates to form a uniform 2D oxide layer on the silicon surface, which is characterized by the reappearance of sharp vibration features for gas-phase O-2 molecules. This layer is also quite stable up to 800 K and without any further oxidation in the bulk. On increasing the temperature to 850 K at 0.2 mbar oxygen pressure, bulk Si oxidation begins and the work function increases drastically by 1 eV. An angle-dependent Si 2p spectra recorded map out the presence of elemental Si to Si4+ from bulk to the surface, respectively. A simple model is proposed to show the various stage of silicon oxidation. A continuous change in the work function and electronic states observed due to gas-lattice (O-2-Si) interaction indicates the implications for surface-dependent phenomena, such as heterogeneous catalysis, electrochemistry, 2D layered materials.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b11956}, author = {Ghosalya, Manoj Kumar and Jain, Ruchi and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @article {44367, title = {Silicon-fluorine chemistry: from the preparation of SiF2 to C-F bond activation using silylenes and its heavier congeners}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {MAY}, pages = {5046-5057}, type = {Article}, abstract = {This feature article is intended to provide a background to the history of the isolation of silicon(II) fluorides and the different synthetic methodologies used to generate them. Although first detected in the 1970s, the chemistry of silicon(II) fluorides has not encountered serious research efforts for a rather long period of time. This is somewhat surprising given the fact that the chemistry of compounds with divalent silicon has undergone a renaissance during last three decades. Recently, the interest in silicon(II) fluorides have been resparked with tremendous progress being achieved in this area, in particular, with respect to their synthesis and structural characterisation. The successful isolation of cyclic alkyl amino carbene (cAAC) stabilized silicon difluoride has completed the classic progression of SiF2, from a transient intermediate to spectroscopically detected molecule to a stable compound. The related germanium(II), tin(II), and lead(II) fluoride chemistry will also be discussed. Apart from the isolation of tetrel(II) fluorides, the use of compounds with low valent group 14 elements for the selective activation and functionalisation of C-F bonds has witnessed some remarkable advances, which will also be summarized in this feature article.}, doi = {10.1039/c8cc01816b}, author = {Sen, Sakya S. and Roesky, Herbert W.} } @article {44622, title = {Silk cocoon as counter - electrode substrate in dye - sensitized solar cells}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {JUL}, pages = {7195-7199}, abstract = {

Electrodes are vital components of energy conversion devices such as dye sensitized solar cells (DSSCs). The widely used electrodes consist of fluorine doped tin oxide (FTO) and platinum. We were interested in identifying a substrate that is available from natural resources and exhibit performance comparable to that of Pt coated FTO (Pt-FTO). Silk fibers are naturally available and they are mechanically stable. The woven silk fibers are known as silk cocoons (SCs) that structurally resemble widely used carbon paper electrodes. To impart conductivity to the insulating SCs, metal film was coated by an electroless metal plating procedure using polyphenols from green tea. The metal coated SCs were conformaly coated with a conjugated polymer and these electrodes were used as flexible electrodes in DSSCs. The flexible electrode based DSSCs exhibited a power conversion efficiency of 7.2\% which is comparable to that of the DSSCs with rigid Pt-FTO based devices (7.4\%).

}, keywords = {counter electrode, PEDOT-G-SCs, Recombination, Silk cocoons (SCs)}, issn = {2365-6549}, doi = {10.1002/slct.201800856}, author = {Sudhakar, Vediappan and Das, Chayanika and Krishnamoorthy, Kothandam} } @article {44380, title = {Silk fibroin micro-particle scaffolds with superior compression modulus and slow bioresorption for effective bone regeneration}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {MAY}, pages = {Article Number: 7235}, abstract = {Silk fibroin (SF), a natural polymer produced by Bombyx mori silkworms, has been extensively explored to prepare porous scaffolds for tissue engineering applications. Here, we demonstrate, a scaffold made of SF, which exhibits compression modulus comparable to natural cancellous bone while retaining the appropriate porosities and interconnected pore architecture. The scaffolds also exhibit high resistance to in-vitro proteolytic degradation due to the dominant beta sheet conformation of the SF protein. Additionally, the scaffolds are prepared using a simple method of microparticle aggregation. We also demonstrate, for the first time, a method to prepare SF micro-particles using a Hexafluoroisopropanol-Methanol solvent-coagulant combination. SF microparticles obtained using this method are monodisperse, spherical, non-porous and extremely crystalline. These micro-particles have been further aggregated together to form a 3D scaffold. The aggregation is achieved by random packing of these microparticles and fusing them together using a dilute SF solution. Preliminary in-vitro cell culture and in-vivo implantation studies demonstrate that the scaffolds are biocompatible and they exhibit the appropriate early markers, making them promising candidates for bone regeneration.}, doi = {10.1038/s41598-018-25643-x}, author = {Nisal, Anuya and Sayyad, Raeesa and Dhavale, Prachi and Khude, Bhakti and Deshpande, Rucha and Mapare, Vidhyashri and Shukla, Swati and Venugopalan, Premnath} } @article {44573, title = {Silver-mediated oxidative decarboxylative intramolecular asymmetric radical cyclization (C sp3 {\textendash}C sp2 ) via memory of chirality: access to circumdatin alkaloids}, journal = {Organic Letters }, volume = {20}, year = {2018}, month = {APR}, pages = {2092-2095}, type = {Article}, abstract = {

A novel silver-mediated oxidative decarboxylative intramolecular asymmetric radical cyclization has been developed to form a Csp3{\textendash}Csp2 bond via memory of chirality. The application of the process has been demonstrated for the synthesis of the circumdatin class of alkaloids in high enantiopurity with retention of the configuration. The developed protocol is mild and works with an inexpensive silver catalyst in the absence of ligand, base, or additives. The involvement of a monoradical in the reaction has been established by trapping the radical intermediate.

}, doi = {10.1021/acs.orglett.8b00652}, author = {Mahajan, Pankaj S. and Mhaske, Santosh B.} } @article {44381, title = {Single pot selective hydrogenation of furfural to 2-methylfuran over carbon supported iridium catalysts}, journal = {Green Chemistry}, volume = {20}, year = {2018}, month = {MAY}, pages = {2027-2037}, abstract = {Various iridium supported carbon catalysts were prepared and screened for the direct hydrogenation of furfural (FFR) to 2-methyl furan (2-MF). Amongst these, 5\% Ir/C showed excellent results with complete FFR conversion and highest selectivity of 95\% to 2-MF at a very low H-2 pressure of 100 psig. Metallic (Ir degrees) and oxide (IrO2) phases of Ir catalyzed the first step hydrogenation involving FFR to FAL and subsequent hydrogenation to 2-MF, respectively. This was confirmed by XPS analysis and some control experiments. At a low temperature of 140 degrees C, almost equal selectivities of FAL (42\%) and 2-MF (43\%) were observed, while the higher temperature (220 degrees C) favored selective hydrodeoxygenation. At optimized temperature, 2-MF was formed selectively while higher pressure and higher catalyst loading favored ring hydrogenation of furfural rather than side chain hydrogenation. With the combination of several control experimental results and detailed catalyst characterization, a plausible reaction pathway has been proposed for the selective formation of 2-MF. The selectivity to various other products in FFR hydrogenation can be manipulated by tailoring the reaction conditions over the same catalyst.}, doi = {10.1039/c8gc00284c}, author = {Date, Nandan S. and Hengne, Amol M. and Huang, K-W. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {44182, title = {Single step, phase controlled, large scale synthesis of ferrimagnetic iron oxide polymorph nanoparticles by thermal plasma route and their rheological properties}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {449}, year = {2018}, month = {MAR 1}, pages = {232-242}, type = {Article}, abstract = {

In this paper we report single step large scale synthesis of highly crystalline iron oxide nanoparticles viz. magnetite (Fe3O4) and maghemite (gamma-Fe2O3) via gas phase condensation process, where micron sized iron metal powder was used as a precursor. Selective phases of iron oxide were obtained by variation of gas flow rate of oxygen and hence partial pressure of oxygen inside the plasma reactor. Most of the particles were found to possesses average crystallite size of about 20-30 nm. The DC magnetization curves recorded indicate almost super-paramagnetic nature of the iron oxide magnetic nanoparticles. Further, iron oxide nanoparticles were analyzed using Raman spectroscopy, X-ray photoelectron spectroscopy and Mossbauer spectroscopy. In order to explore the feasibility of these nanoparticles for magnetic damper application, rheological studies have been carried out and compared with commercially available Carbonyl Iron (CI) particles. The nanoparticles obtained by thermal plasma route show improved dispersion which is useful for rheological applications. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {Iron oxide, magnetic properties, Nano-crystalline materials, Rheological properties, Thermal plasma}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2017.09.056}, author = {Raut, Suyog A. and Mutadak, Pallavi R. and Kumar, Shiv and Kanhe, Nilesh S. and Huprikar, Sameer and Pol, Harshawardhan V. and Phase, Deodatta M. and Bhoraskar, Sudha V. and Mathe, Vikas L.} } @article {44572, title = {Single-particle tracking to probe the local environment in ice-templated crosslinked colloidal assemblies}, journal = {Langmuir}, volume = {34}, year = {2018}, month = {APR}, pages = {4603{\textendash}4613}, type = {Article}, abstract = {

We use single-particle tracking to investigate colloidal dynamics in hybrid assemblies comprising colloids enmeshed in a crosslinked polymer network. These assemblies are prepared using ice templating and are macroporous monolithic structures. We investigate microstructure-property relations in assemblies that appear chemically identical but show qualitatively different mechanical response. Specifically, we contrast elastic assemblies that can recover from large compressive deformations with plastic assemblies that fail on being compressed. Particle tracking provides insights into the microstructural differences that underlie the different mechanical response of elastic and plastic assemblies. Since colloidal motions in these assemblies are sluggish, particle tracking is especially sensitive to imaging artifacts such as stage drift. We demonstrate that the use of wavelet transforms applied to trajectories of probe particles from fluorescence microscopy eliminates stage drift, allowing a spatial resolution of about 2 nm. In elastic and plastic scaffolds, probe particles are surrounded by other particles{\textemdash}thus, their motion is caged. We present mean square displacement and van Hove distributions for particle motions and demonstrate that plastic assemblies are characterized by significantly larger spatial heterogeneity when compared with the elastic sponges. In elastic assemblies, particle diffusivities are peaked around a mean value, whereas in plastic assemblies, there is a wide distribution of diffusivities with no clear peak. Both elastic and plastic assemblies show a frequency independent solid modulus from particle tracking microrheology. Here too, there is a much wider distribution of modulus values for plastic scaffolds as compared to elastic, in contrast to bulk rheological measurements where both assemblies exhibit a similar response. We interpret our results in terms of the spatial distribution of crosslinks in the polymer mesh in the colloidal assemblies.

}, issn = {7437463}, doi = {0.1021/acs.langmuir.7b04120}, author = {Suresh, Karthika and Sharma, D. K. and Chulliyil, Ramya and Sarode, Ketan Dinkar and Kumar, V. Ravi and Choudhary, Arindam and Kumaraswamy, Guruswamy} } @article {45458, title = {Single-pot reductive rearrangement of furfural to cyclopentanone over silica-supported Pd catalysts}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {AUG}, pages = {9860-9871}, type = {Article}, abstract = {

Direct one-pot hydrogenation of furfural (FFR) to cyclopentanone (CPO) was investigated over different silica-supported Pd catalysts. Among these, 4\% Pd on fumed silica (4\%Pd/f-SiO2) showed remarkable results, achieving almost 98\% furfural (FFR) conversion with similar to 89\% selectivity and 87\% yield to cyclopentanone at 165 degrees C and 500 psig H-2 pressure. More interestingly, the fumed-silica-supported catalyst tuned the selectivity toward the rearrangement product, i.e, cyclopentanone, whereas all of the other supports were found to give ring hydrogenation as well as side chain hydrogenation products due to their parent Bronsted acidity and specific support properties. X-ray diffraction data revealed the presence of different phases of the face-centered cubic lattice of metallic Pd along with lowest crystallite size of 15.6 nm in the case of the silica-supported Pd catalyst. However, Pd particle size was found to be in the range of 5-13 nm with even dispersion over the silica support, confirmed by high-resolution transmission electron microscopy analysis. While studying the effect of reaction parameters, it was observed that lower temperature gave low furfural conversion of 58\% with only 51\% CPO selectivity.. Similarly, higher H-2 pressure lowered CPO selectivity with subsequent increase in 2-methyl furan and ring hydrogenation product 2-methyl furan and 2-methyl tetrahydrofuran. Thus, as per the requirement, the product selectivity can be tuned by varying the type of support and/or the reaction parameters suitably. With the help of several control experiments and the characterization data, a plausible reaction pathway was proposed for the selective formation of cyclopentanone.

}, issn = {2470-1343}, doi = {10.1021/acsomega.8b00980}, author = {Date, Nandan S. and Kondawar, Sharda E. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {44226, title = {Solid state auto-inversion of C-centrochirality: enantioselective total synthesis of furocarbazolones (-)-epi-claulansine D and (-)-claulansine D and pyranocarbazolone (+)-epi-claulansine C}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {JAN}, pages = {382-387}, type = {Article}, abstract = {

Starting from dimethyl (E)-2-{[(1-tert-butoxycarbonyl)-1H-indol-3-yl]methylene}succinate and (R)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carbaldehyde, facile synthesis of (-)-epi-claulansine D was accomplished via condensation and two intramolecular cyclizations. The (-)-epi-claulansine D in the solid state exists in a metastable form, and after an induction period of 30-90 days, it underwent complete epimerization to exclusively deliver the desired natural product (-)-claulansine D in quantitative yield. The witnessed inversion of C-centrochirality in the solid state is conceptually novel and takes place for relatively higher crystal stability reasons. Base-catalyzed ring expansion of both (+/-)/(-)-epi-claulansine D and (+/-)/(-)-claulansine D resulted in (+/-)/(+)-epi-claulansine C in very good yields.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b02773}, author = {Markad, Shivaji B. and N. P. Argade} } @article {44371, title = {Soluble polybenzimidazoles with intrinsic porosity: synthesis, structure, properties and processability}, journal = {56Journal of Polymer Science Part A-Polymer Chemistry}, volume = {56}, year = {2018}, month = {MAY}, pages = {1046-1057}, type = {Article}, abstract = {We have explored two novel comonomers, namely, 4,16-dicarboxyl[2.2]paracyclophane and 5,5,6,6-tetraamino-3,3,3,3-tetramethyl-1,1-spirobi[indane], for the synthesis of co-polybenzimidazoles (co-PBIs) with intrinsic porosity. Both these monomers possess twisted structures that can lead to awkward macromolecular shapes that cannot pack efficiently. The consequences of introducing these two monomers on the structure and properties of PBIs are reported. The random copolymers synthesized are amorphous and possess glass transition temperatures (T(g)s) greater than 400 degrees C. T-g decreases with increasing comonomer content indicating an increase in fractional free volume. The copolymers have low surface area. TEM and BET measurements show evidence of mesopore formation. The copolymers show significant carbon dioxide adsorption. Single chain molecular dynamics simulation of 24-mer repeat units shows intramolecular void spaces arising as a result of distorted polymer chain with reduced conformational mobility. These studies define a new synthetic strategy for bottoms-up synthesis of PBIs with intrinsic porosity. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 1046-1057}, doi = {10.1002/pola.28979}, author = {Kumar, Vikas and Chatterjee, Shyambo and Sharma, Pragati and Chakrabarty, Suman and Avadhani, Chilukuri V. and Sivaram, Swaminathan} } @article {44633, title = {Solvent and pH-stable poly(2,5-benzimidazole) (ABPBI) based UF membranes: preparation and characterizations}, journal = {Journal of Membrane Science}, volume = {563}, year = {2018}, month = {OCT }, pages = {743-751}, abstract = {

Poly(2,5-benzimidazole), commonly known as ABPBI, is an excellent thermo-chemically stable polymer that is widely evaluated as a proton exchange membrane material in a fuel cell. Its niche intrinsic characteristics could be highly useful in the membrane preparation for various separation applications, especially under harsher environments. To gain insights towards this feasibility, ABPBI based supported membranes were prepared by phase inversion method. Effects of the nonwoven porous support material (polypropylene/polyester), non-solvent (water/0.5 N NaOH) and polymer concentration (6 or 4 wt\%) on the membrane properties (water flux, rejection and porosity) were investigated. The stability of these membranes towards common organic solvents, concentrated acid (25 N H2SO4), base (2.5 N NaOH) and an autoclave condition was analyzed. ABPBI membrane showed a pore collapse after drying. In order to avoid this, the glycerol treatment was not only found to be suitable but also repeatable, without significant deviations in the water flux.

}, keywords = {ABPBI membrane, Pore size distribution, Solvent stable membranes, Ultrafiltration}, issn = {0376-7388}, doi = {10.1016/j.memsci.2018.06.052}, author = {Lohokare, Harshada R. and Chaudhari, Harshal D. and Kharul, Ulhas. K.} } @article {44236, title = {Solvent degradation studies using hydrodynamic cavitation}, journal = {Environmental Progress \& Sustainable Energy}, volume = {37}, year = {2018}, month = {JAN}, pages = {295-304}, type = {Article}, abstract = {

Hydrodynamic cavitation for the degradation of organic solvents was investigated in detail using a newer form of cavitating device-vortex diode. The results were also compared with that using conventional cavitating device orifice. Removal of three different organic solventsacetone, methyl ethyl ketone (MEK), and toluene were studied on a pilot plant with capacity of 1m(3)/h. The effect of different operating parameters such as inlet pressure, initial concentration, and reactor type on the degradation rate of solvent was investigated in detail. The results revealed that efficiency of solvent removal varies substantially with the change in physical operating conditions and nature of the solvent. It was found that up to 80\% degradation could be achieved for toluene (cavitational yield 32.2 x 10(-3) mg/J), substantially higher than that for acetone and MEK indicating the effect of molecular weight/structure in the degradation process. Further, the results clearly indicated chemical oxidation as a predominant mechanism for degradation and not physical destruction. Vortex diode that works on the principle of vortex generation for cavitation, was found to be far superior over conventional cavitating device-orifice- approximate to up to eight times higher cavitational yield could be obtained for toluene as compared to orifice. The results of this study provide newer insight into solvent removal using hydrodynamic cavitation and would have bearing on the treatment of solvent containing wastewaters. (C) 2017 American Institute of Chemical Engineers

}, keywords = {Effluent treatment, industry, pollution, Vortex diode, wastewater}, issn = {1944-7442}, doi = {10.1002/ep.12674}, author = {Suryawanshi, Pravin G. and Bhandari, Vinay M. and Sorokhaibam, Laxmi Gayatri and Ruparelia, Jayesh P. and Ranade, Vivek V.} } @article {45513, title = {Solvent-less solid state synthesis of dispersible metal and semiconducting metal sulfide nanocrystals}, journal = {ACS sustainable chem. eng}, volume = {6}, year = {2018}, month = {JUL}, pages = {12006{\textendash}12016}, type = {Article }, abstract = {Monolayer protected metal and metal sulfide nanocrystals (NCs) have mainly two constituents; the inorganic metal or metal chalcogenide complex as core and organic molecule as shell. Noticing that metal thiolates have these ingredients inbuilt in their structure, we investigated them as possible precursors for the preparation of monolayer protected metal and metal sulfide NCs via solid state grinding method. Accordingly silver and gold NCs have been prepared using a solvent less green approach, by the simple and convenient solid state grinding of the corresponding metal thiolate with sodium borohydride. Similarly, a large variety of uniform-sized semiconducting NCs of metal sulfides including PbS, CdS, ZnS, MnS, Ag2S, and CuS could also be synthesized by the same solid state route by grinding the metal thiolates with octyl dithiocarbamic acid (C8DTCA) and in some cases C8DTCA plus small amount of oleylamine as sulfur source. Interestingly, this simple technique could be used to prepare sub-3 nm NCs like Ag2S, PbS, and CuS which are otherwise difficult to prepare by the conventional high temperature solution routes also. Most gratifyingly, all these NCs, though were prepared by a solvent less grinding method, could be easily dispersed in nonpolar solvents as the preparation method ensued the formation of organic molecule capped NCs.}, doi = { 10.1021/acssuschemeng.8b02292}, author = {Bera, Abhijit and Busupalli, B. and Bhagavatula L. V. Prasad} } @article {45402, title = {Spatial-temporal spectroscopy characterizations and electronic structure of methylammonium perovskites}, journal = {MRS Communications}, volume = {8}, year = {2018}, month = {SEP}, pages = {961-969}, type = {Article}, abstract = {

Using time-resolved laser-scanning confocal microscopy and ultrafast optical pump/THz probe spectroscopy, we measure photoluminescence (PL) and THz-conductivity in perovskite micro-crystals and films. PL quenching and lifetime variations occur from local heterogeneity. Ultrafast THz-spectra measure sharp quantum transitions from excitonic Rydberg states, providing weakly bound excitons with a binding energy of similar to 13.5 meV at low temperatures. Ab-initio electronic structure calculations give a direct band gap of 1.64 eV, a dielectric constant of similar to 18, heavy electrons, and light holes, resulting in weakly bound excitons, consistent with the binding energies from the experiment. The complementary spectroscopy and simulations reveal fundamental insights into perovskite light-matter interactions.

}, doi = {10.1557/mrc.2018.114}, author = {Liu, Zhaoyu and Bhamu, K. C. and Luo, Liang and Shah, Satvik and Park, Joong-Mok and Cheng, Di and Long, Men and Biswas, Rana and Fungara, F. and Shiner, Ruth and Shiner, Joseph and Vela, Javier and Wang, Jigang} } @article {44618, title = {Specific stereoisomeric conformations determine the drug potency of cladosporin scaffold against malarial parasite}, journal = {Journal of Medicinal Chemistry}, volume = {61}, year = {2018}, month = {JUL}, pages = {5664-5678}, abstract = {

The dependence of drug potency on diastereomeric configurations is a key facet. Using a novel general divergent synthetic route for a three-chiral center antimalarial natural product cladosporin, we built its complete library of stereoisomers (cladologs) and assessed their inhibitory potential using parasite-, enzyme-, and structure-based assays. We show that potency is manifest via tetrahyropyran ring conformations that are housed in the ribose binding pocket of parasite lysyl tRNA synthetase (KRS). Strikingly, drug potency between top and worst enantiomers varied 500-fold, and structures of KRS-cladolog complexes reveal that alterations at C3 and C10 are detrimental to drug potency whereas changes at C3 are sensed by rotameric flipping of glutamate 332. Given that scores of antimalarial and anti-infective drugs contain chiral centers, this work provides a new foundation for focusing on inhibitor stereochemistry as a facet of antimicrobial drug development.

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.8b00565}, author = {Das, Pronay and Babbar, Palak and Malhotra, Nipun and Sharma, Manmohan and Jachak, Goraknath R. and Gonnade, Rajesh G. and Shanmugam, Dhanasekaran and Harlos, Karl and Yogavel, Manickam and Sharma, Amit and Reddy, D. Srinivasa} } @article {45378, title = {Specificity of amino acid-aluminum cluster interaction and subsequent oxygen activation by the above complex}, journal = {Journal of Physical Chemistry C }, volume = {122}, year = {2018}, month = {DEC}, pages = {28310-28323}, type = {Article}, abstract = {Amino acid aluminum cluster complex has been shown to be a promising oxygen molecule activator and has the potential to dissociate O-O bond on the cluster surface. The study of the complex also reveals specificity of amino acid to aluminum cluster in the above complex, which can be used in the detection of amino acid. The results have been obtained by the density functional theory at the B3LYP/6-311++g(d,p) level of calculation.}, issn = { 1932-7447}, doi = { 10.1021/acs.jpcc.8b08396}, author = {Samanta, Bipasa and Sengupta, Turbasu and Pal, Sourav} } @article {45369, title = { Spin state engineered ZnxCo3-xO4 as an efficient oxygen evolution electrocatalyst }, journal = {Physical Chemistry Chemuical Physics}, volume = {20}, year = {2018}, month = {DEC}, pages = {29452-29461}, type = {Article }, abstract = {Oxygen evolution is the key step in the oxidation of water in electrolyzers and photoelectrochemical cells for the production of hydrogen. Developing a non-precious metal oxide catalyst with good electrocatalytic activity for the oxygen evolution reaction (OER) is very challenging. In this work, nanostructured ZnxCo3-xO4 has been shown as an efficient catalyst with a low overpotential for the OER in 0.1 M KOH solution. Substitution of Co2+ in the spinel oxide Co3O4 with Zn2+ creates a higher number of high-spin Co3+, which is found to be directly correlated with the OER activity of ZnxCo3-xO4. Zn0.8Co2.2O4 (x = 0.8) with the optimum amount of Co2+/Co3+ and high-spin Co3+ content showed a very low overpotential of approximate to 250 mV, at 10 mA cm(-2), with a turnover frequency of approximate to 3 x 10(-3) s(-1) for the OER. The high Faradaic efficiency along with the stability of Zn0.8Co2.2O4 and electrocatalytic activity comparable with that of precious metal oxides indicate that this composition is a promising catalyst for water oxidation.}, issn = {1463-9076}, doi = {10.1039/c8cp06641h}, author = {Ramsundar, Rani Mohan and Pillai, Vijayamohanan Kunjukrishna and Joy, Pattayil Alias} } @article {44568, title = {Spinel-type mixed oxides for stable and selective partial oxidation of benzyl alcohol}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {APR }, pages = {3751-3761}, type = {Article}, abstract = {

Benzaldehyde is an important chemical intermediate, which need to be prepared through an eco-friendly process. Manganese oxides are active as catalysts for its preparation through partial oxidation of benzyl alcohol. In this study, Cu, Co and Mn containing spinel based mixed oxides (CuxMn3-xO4) were prepared and tested for partial oxidation of benzyl alcohol to get benzaldehyde with high selectivity. The catalytic activity strongly depended on chemical composition, acid-base properties and oxygen uptake. The influence of chemical composition, reaction temperature, oxygen partial pressure and the weight hourly space velocity (WHSV) were investigated to optimize benzaldehyde yield and to stabilize the catalyst activity. A high benzaldehyde selectivity of 98\%, accompanied with benzyl alcohol conversion of 84.5\% was obtained over Cu0.25Mn2.75O4 catalyst at 300 {\textdegree}C. It was evident from temperature programmed desorption (TPD) of CO2 that this catalyst was found to have optimum basicity and high oxygen uptake, thus imparting high activity and stability. Activity and catalyst life could be attributed to appropriate acid-base properties. Supporting Information

}, issn = {23656549}, doi = {10.1002/slct.201800321}, author = {Gurrala, Lakshmiprasad and Nagpure, Atul S. and Gurav, Hanmant R. and Chilukur, Satyanarayana} } @article {45418, title = {Spiro [fluorene-9,9 {\textquoteright}-xanthene]-containing copolymers of intrinsic microporosity: synthesis, characterization and gas permeation properties}, journal = {Reactive \& Functional Polymers}, volume = {133}, year = {2018}, month = {2018}, pages = {153-160}, type = {Article}, abstract = {In the present study, a new bis(catechol) containing spiro[fluorene-9,9{\textquoteright}-xanthene], namely, 4,4{\textquoteright}-(spiro(fluorene9,9{\textquoteright}-xanthene]-2{\textquoteright},7{\textquoteright}-diyl)bis(benzene-1,2-diol) (THSFX) was designed and synthesized. Polycondensation reactions of THSFX and varying compositions of THSFX and 5,5{\textquoteright},6,6{\textquoteright}-tetrahydroxy-3,3,3{\textquoteright},3{\textquoteright}-tetramethyl-1,1{\textquoteright}-spirobisindane (TTSBI) were carried out with 2,3,5,6-tetrafluoroterephthalonitrile (TFTPN) to obtain a homopolymer and copolymers, respectively. The organo-soluble polymers exhibited reasonably high molecular weights (23300-34,100 g/mol) and could be cast into self-standing films from their chloroform solutions. X-Ray diffraction studies indicated that PIMs were amorphous in nature. These polymers exhibited high thermal stability (T-10 = 490-510 degrees C) and possessed intrinsic microporosity with high BET surface area (360-796 m(2)/g). The gas permeation properties of SFX-PIM-25 and SFX-PIM-33 were evaluated and they exhibited high gas permeability (CO2 = 3595-4034 Barrer). The gas permeability data of SFX-PIM-25 and SFX-PIM-33 was located close to 1991 Robson upper bound for CO2/N-2, CO2/CH4 and O-2/N-2 gas pairs}, issn = {1381-5148 }, doi = {10.1016/j.reactfunctpolym.2018.10.008}, author = {Shrimant, Bharat and Kharul, Ulhas K. and Wadgaonkar, Prakash P.} } @article {44231, title = {Spreading dynamics of superposed liquid drops on a spinning disk}, journal = {Physics of Fluids}, volume = {30}, year = {2018}, month = {JAN}, pages = {012110}, type = {Article}, abstract = {

We have experimentally studied simultaneous spreading of superposed drops of two Newtonian liquids on top of a horizontal spinning disk using the flow visualization technique. An inner drop of high surface tension liquid is placed centrally on the disk followed by a drop of outer liquid (lower surface tension) placed exactly above that. The disk is then rotated at a desired speed for a range of volume ratios of two liquids. Such an arrangement of two superposed liquid drops does not affect the spreading behavior of the outer liquid but influences that of the inner liquid significantly. The drop spreads to a larger extent and breaks into more fingers (Nf) as compared to the case where the same liquid is spreading in the absence of outer liquid. The experimentally observed number of fingers is compared with the prediction using available theory for single liquid. It is found that the theory over-predicts the value of Nf for the inner liquid while it is covered by an outer liquid. We provide a theoretical justification for this observation using linear stability analysis. Our analysis demonstrates that for small but finite surface tension ratio of the two liquids, the presence of the outer interface reduces the value of the most unstable wave number which is equivalent to the decrease in the number of fingers observed experimentally. Finally, sustained rotation of the disk leads to the formation of droplets at the tip of the fingers traveling outwards. Published by AIP Publishing.

}, issn = {1070-6631}, doi = {10.1063/1.5002601}, author = {Sahoo, Subhadarshinee and Orpe, Ashish V. and Doshi, Pankaj} } @article {44567, title = {Steering the ester and gamma-valerolactone selectivities in levulinic acid hydrogenation}, journal = {Energy Fuels}, volume = {32 }, year = {2018}, month = {JUN}, pages = {6887{\textendash}6900}, type = {Journal Article}, abstract = {

Both alkyl esters and γ-valerolactone (GVL) derived from levulinic acid (LA) have applications as renewable transportation fuel/fuel additives. Non-noble metal cobalt supported on La2O3 catalyst was developed for efficient cascade LA hydrogenation to GVL via esterification. LA hydrogenation in methanol alone yielded methyl levulinate (MeLA) as a major product along with 43\% of GVL. Interestingly, hydrogenation in water gave almost complete selectivity to GVL; nevertheless, it was associated with significant metal leaching. Suppression of metal leaching and enhancement in selectivity to GVL could be achieved by a methanol/water (95:5) solvent system. XRD analysis of La2O3-supported catalysts evidenced the characteristic peaks of a mixture of La2O3 and La(OH)3 phases. Basicity, as well as acidity, of the catalyst as determined by CO2 and NH3 TPD was due to these La2O3, Co{\textendash}La, and La(OH)3 phases which played an important role in directing the product selectivity in levulinic acid hydrogenation. At the low temperature of 160 {\textdegree}C, almost equal selectivities of MeLA (47\%) and GVL (43\%) were observed, while higher temperature (200 {\textdegree}C) favored further hydrogenation of MeLA to GVL (75\%). Similarly, with an increase in reaction time to 9 h, the GVL selectivity achieved was as high as 80\%. The selectivity to MeLA and GVL in LA hydrogenation over Co/La2O3 catalyst can be altered by suitably adjusting the reaction conditions.

}, doi = {10.1021/acs.energyfuels.8b01263}, author = {Kasar, Gayatri B. and Date, Nandan S. and Bhosale, P. N. and Rode, Chandrashekhar V.} } @conference {45431, title = { Strategies to reduce necking and drawdown defects in polymer melt extrusion film casting process}, booktitle = {256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond}, year = {2018}, month = {AUG}, publisher = {AMER CHEMICAL SOC.}, organization = {AMER CHEMICAL SOC.}, address = {Boston, MA}, abstract = {256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond}, author = {Rokade, Dhammaraj and Chougale, Sanket and Pol, Harshawardhan} } @article {44186, title = {Streptomyces sp metabolite(s) promotes Bax mediated intrinsic apoptosis and autophagy involving inhibition of mTOR pathway in cervical cancer cell lines}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {FEB}, pages = {2810}, type = {Article}, abstract = {

In cervical cancer, the association between HPV infection and dysregulation of phosphoinositide 3-kinase (PI3K)/protein kinase B (AKT)/mammalian target of rapamycin (mTOR) pathway (PI3K/AKT/mTOR pathway) places mTOR as an attractive therapeutic target. The failure of current treatment modalities in advanced stages of this cancer and drawbacks of already available mTOR inhibitors demand for novel drug candidates. In the present study we identified the presence of a mTOR inhibitor in an active fraction of the ethyl acetate extract of Streptomyces sp OA293. The metabolites(s) in the active fraction completely inhibited mTORC1 and thereby suppressed activation of both of its downstream targets, 4E-BP1 and P70S6k, in cervical cancer cells. In addition, it also stalled Akt activation via inhibition of mTORC2. The mechanism of mTOR inhibition detailed in our study overcomes significant drawbacks of well known mTOR inhibitors such as rapamycin and rapalogs. The active fraction induced autophagy and Bax mediated apoptosis suggesting that mTOR inhibition resulted in programmed cell death of cancer cells. The molecular weight determination of the components in active fraction confirmed the absence of any previously known natural mTOR inhibitor. This is the first report of complete mTOR complex inhibition by a product derived from microbial source.

}, issn = {2045-2322}, doi = {10.1038/s41598-018-21249-5}, author = {Dan, Vipin Mohan and Muralikrishnan, Balaji and Sanawar, Rahul and Vinodh, J. S. and Burkul, Bhushan Bapusaheb and Srinivas, Kalanghad Puthankalam and Lekshmi, Asha and Pradeep, N. S. and Dastager, Syed G. and Santhakumari, B. and Santhoshkumar, Thankayyan R. and Kumar, R. Ajay and Pillai, Madhavan Radhakrishna} } @article {44566, title = {Structural and functional analysis of UGT92G6 suggests an evolutionary link between mono- and disaccharide glycoside-forming transferases}, journal = {Plant and Cell Physiology}, volume = {59}, year = {2018}, month = {APR }, pages = { 862{\textendash}875}, type = {Journal Article}, abstract = {

Glycosylation mediated by UDP-dependent glycosyltransferase (UGT) is one of the most common reactions for the biosynthesis of small molecule glycosides. As glycosides have various biological roles, we characterized UGT genes from grapevine (Vitis vinifera). In silico analysis of VvUGT genes that were highly expressed in leaves identified UGT92G6 which showed sequence similarity to both monosaccharide and disaccharide glucoside-forming transferases. The recombinant UGT92G6 glucosylated phenolics, among them caffeic acid, carvacrol, eugenol and raspberry ketone, and also accepted geranyl glucoside and citronellyl glucoside. Thus, UGT92G6 formed mono- and diglucosides in vitro from distinct compounds. The enzyme specificity constant Vmax/Km ratios indicated that UGT92G6 exhibited the highest specificity towards caffeic acid, producing almost equal amounts of the 3- and 4-O-glucoside. Transient overexpression of UGT92G6 in Nicotiana benthamiana leaves confirmed the production of caffeoyl glucoside; however, the level of geranyl diglucoside was not elevated upon overexpression of UGT92G6, even after co-expression of genes encoding geraniol synthase and geraniol UGT to provide sufficient precursor. Comparative sequence and 3-D structure analysis identified a sequence motif characteristic for monoglucoside-forming UGTs in UGT92G6, suggesting an evolutionary link between mono- and disaccharide glycoside UGTs. Thus, UGT92G6 functions as a mono- and diglucosyltransferase in vitro, but acts as a caffeoyl glucoside UGT in N. benthamiana.

}, issn = {320781}, doi = { 10.1093/pcp/pcy028}, author = {Huang, Fong-Chin and Giri, Ashok and Daniilidis, Melina and Sun, Guangxin and H{\"a}rtl, Katja and Hoffmann, Thomas and Schwab, Wilfried} } @article {44360, title = {Structural and magnetic properties of La2Ni1-xCoxMnO6 compounds}, journal = {Materials Research Bulletin}, volume = {102}, year = {2018}, month = {JUN}, pages = {248-256}, type = {Article}, abstract = {Single phase monoclinic La2Ni1-xMnO6 (x = 0.2, 0.4, 0.8) compounds, henceforth, referred as LNCxMO (x = 0.2, 0.4, 0.8) have been prepared by Sol-gel technique. The structural study and redox titration suggest that the samples are both La and O deficient. The generated atomic models using Rietveld refined structural parameters show octahedral distortion In the double perovskite structure. X-ray photoelectron spectroscopy (XPS) study has been used to determine the predominant valence states of Ni, Mn and Co ions. LNCxMO (x = 0.2, 0.4) are found to be Heisenberg ferromagnets whereas LNC0.8MO is a phase segregated system. In LNC0.4MO and LNO0.8MO, at temperatures above T-c, chi(-1)(T) curve shows the characteristics of Griffiths phase. The study of ac susceptibility and Isothermal remanent magnetization (IRM) discard the possibility of any glassy state at low temperatures. The antiphase boundaries (APBs), antisite disorders (ASDs) and oxygen vacancies play important roles in this system.}, doi = {10.1016/j.materresbull.2018.01.040}, author = {Pramanik, Debabrata and Mukherjee, S. and Dan, Shovan and Nandy, A. and Pradhan, S. K. and Dasgupta, Papri and Poddar, Asok and Mukherjee, Manabendra and Manjunath, B. and Joy, P. A.} } @article {45523, title = {Structural characterization and magnetic properties of undoped and copper-doped cobalt ferrite nanoparticles prepared by the octanoate coprecipitation route at very low dopant concentrations}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {NOV}, pages = {38621-38630}, abstract = {Nanoparticles of undoped and copper-doped cobalt ferrite Co1-xCuxFe2O4 at very low dopant concentrations (x = 0; 0.02; 0.04; 0.06; 0.08) were successfully synthesized by pyrolysis of the corresponding hetero metal octanoate precursors obtained via coprecipitation using the octanoate ligand as precipitating agent. The precursors were then characterized by FTIR, ICP-AES and TG-DTA analyses and the results reveal the formation of a copper-cobalt-iron hydroxooctanoate represented by the formula [Co1-xCuxFe2(C8H15O2)6(OH)2{\textperiodcentered}2H2O]. The decomposition products obtained upon pyrolysis in air at 400 {\textdegree}C for 3 h were characterized by FTIR, XRD, SEM, TEM, XPS and VSM analyses. FTIR and XRD analyses showed the formation of a single phase mixed spinel ferrite while TEM analysis showed that the particles have a spherical shape with a mean size of 20 nm and form spherical agglomerates with sizes reaching 500 nm in some cases as the SEM images show. The chemical states of the metallic species in the samples were revealed by XPS to be Cu2+, Co2+ and Fe3+. These results combined with XRD confirmed the mixed spinel structure, Co1-xCuxFe2O4 in which Cu2+ ions substitute Co2+ ions in tetrahedral sites for x lower than 0.06 and in octahedral sites for x between 0.06 and 0.08. Magnetic parameters such as saturation magnetization (Ms), coercivity (Hc), remanent magnetization (Mr), magnetocrystalline anisotropy constant (K) and reduced magnetization (Mr/Ms), obtained from magnetic hysteresis loops measured at room temperature, are in agreement with this mixed spinel structure and also indicate that these materials are ferromagnetic and could be good candidates for applications in biomedicine and in microwave devices. }, author = {Kamta Tedjieukeng, H.M. and Tsobnang, P.K. and Fomekong, R.L. and Etape, E.P. and Joy, P.A. and Delcorte, A. and Lambi, J.N.} } @article {44564, title = {Structural elucidation of NASICON (Na3Al2P3O12) based glass electrolyte materials: effective influence of boron and gallium}, journal = {RSC Advances}, volume = {8}, year = {2018}, pages = {14422-14433}, type = {Journal Article}, abstract = {

Understanding the conductivity variations induced by compositional changes in sodium super ionic conducting (NASICON) glass materials is highly relevant for applications such as solid electrolytes for sodium (Na) ion batteries. In the research reported in this paper, NASICON-based NCAP glass (Na2.8Ca0.1Al2P3O12) was selected as the parent glass. The present study demonstrates the changes in the Na+ ion conductivity of NCAP bulk glass with the substitution of boron (NCABP: Na2.8Ca0.1Al2B0.5P2.7O12) and gallium (NCAGP: Na2.8Ca0.1Al2Ga0.5P2.7O12) for phosphorus and the resulting structural variations found in the glass network. For a detailed structural analysis of NCAP, NCABP and NCAGP glasses, micro-Raman and magic angle spinning-nuclear magnetic resonance (MAS-NMR) spectroscopic techniques (for 31P, 27Al, 23Na, 11B and 71Ga nuclei) were used. The Raman spectrum revealed that the NCAP glass structure is more analogous to the AlPO4 mesoporous glass structure. The 31P MAS-NMR spectrum illustrated that the NCAP glass structure consists of a high concentration of Q0 (3Al) units, followed by Q0 (2Al) units. The 27Al MAS-NMR spectrum indicates that alumina exists at five different sites, which include AlO4 units surrounded by AlO6 units, Al(OP)4, Al(OP)5, Al(OAl)6 and Al(OP)6, in the NCAP glass structure. The 31P, 27Al and 11B MAS-NMR spectra of the NCABP glass revealed the absence of B{\textendash}O{\textendash}Al linkages and the presence of B3{\textendash}O{\textendash}B4{\textendash}O{\textendash}P4 linkages which further leads to the formation of borate and borophosphate domains. The 71Ga MAS-NMR spectrum suggests that gallium cations in the NCAGP glass compete with the alumina cations and occupy four (GaO4), five (GaO5) and six (GaO6) coordinated sites. The Raman spectrum of NCAGP glass indicates that sodium cations have also been substituted by gallium cations in the NCAP glass structure. From impedance analysis, the dc conductivity of the NCAP glass (\~{}3.13 {\texttimes} 10-8 S cm-1) is slightly decreased with the substitution of gallium (\~{}2.27 {\texttimes} 10-8 S cm-1) but considerably decreased with the substitution of boron (\~{}1.46 {\texttimes} 10-8 S cm-1). The variation in the conductivity values are described based on the structural changes of NCAP glass with the substitution of gallium and boron.

}, issn = {20462069}, doi = {10.1039/C8RA01676C}, author = {Allu, Amarnath R.}, editor = {Balaji, Sathravada} } @article {44561, title = {Structural elucidation of the binary mixtures of [emim][bf4] and [bmim][bf4] in ethyl-substituted solvents by isothermal titration calorimeter.}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {JUN }, pages = {5792-5800}, type = {Journal Article}, abstract = {In order to address the issue whether both ionic liquids and solvents influence the enthalpy of their solutions, highly accurate excess partial molar enthalpy, urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0001 values have been measured using Isothermal Titration Calorimeter (ITC). Therefore, thermodynamic behavior has been observed in the mixtures containing ionic liquids. It essentially depends on the molecular structure of the constituents of the mixture. The hydrogen bonding between ionic liquids and ethyl-substituted solvents (2-ethoxyethanol, ethylene glycol, diethylamine, ethyl acetate and N,N- diethylacetamide) may lead to strong ion-solvent interactions. In the present study, an effort has been made to quantify various interactions between ionic liquid and solvent, based on the urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0002 values. Linear solvation free relation shows dependence of limiting excess partial molar enthalpies, urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0003 upon the solvent properties. Structural orientation of solvent molecules and ionic liquids also described by the urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0004 values. The ion-ion, ion-solvent interactions have also been investigated in terms of the enthalpic interaction parameters, urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0005 and relative apparent molar enthalpy, φL of ionic liquid-ethyl-substituted solvent systems.}, issn = {23656549}, doi = {10.1002/slct.201800976}, author = {Jain, Preeti}, editor = {Kumar, Anil} } @article {45389, title = { Structural, functional and evolutionary diversity of 4-coumarate-CoA ligase in plants}, journal = {Planta}, volume = {248}, year = {2018}, month = {NOV}, pages = {1063-1078}, type = {Article}, abstract = {Main conclusions The 4-coumarate-CoA ligases (4CL) contribute in channelizing flux of different phenylpropanoid biosynthetic pathways. Expression of 4CL is optimized at developmental stages and in response to environmental triggers such as biotic and abiotic stresses. The enzyme is valuable in metabolic pathway engineering for curcuminoids, resveratrol, biofuel production and nutritional improvement. Vigorous analysis of regulation at functional and expression level is obligatory to attain efficient commercial production of candidate metabolites using 4CL. Phenylpropanoid pathway provides precursors for numerous secondary metabolites in plants. In this pathway, 4-coumarate-CoA ligase (EC 6.2.1.12, 4CL) is the main branch point enzyme which generates activated thioesters. Being the last enzyme of three shared common steps in general phenylpropanoid pathway, it contributes to channelize precursors for different phenylpropanoids. In plants, 4CL enzymes are present in multiple isoforms and encoded by small gene family. It belongs to adenylate-forming enzyme family and catalyzes the reaction that converts hydroxy or methoxy cinnamic acid derivatives to corresponding thioesters. These thioesters are further utilized for biosynthesis of phenylpropanoids, which are known for having numerous nutritional and medicinal applications. In addition, the 4CL enzymes have been characterized from various plants for their role in plant physiology or in biotic and abiotic stresses. Furthermore, specific isoforms are differentially regulated upon exposure to diverse stimuli leading to flux diversion toward the particular metabolite biosynthesis. Evolutionary studies showed that 4CL separately evolved after monocot and dicot segregation. Here, we provide a comprehensive review on 4CL, which includes evolution, function, gene/protein structure, role in metabolite biosynthesis and cellular partition, and their regulation. Based on the available data, we have explored the scope for pathway engineering by utilizing 4CL enzymes.}, issn = { 0032-0935}, doi = { 10.1007/s00425-018-2965-z}, author = {Lavhale, Santosh G. and Kalunke, Raviraj M. and Giri, Ashok P.} } @article {45556, title = {Structural insights into the unique inhibitory mechanism of Kunitz type trypsin inhibitor from Cicer arietinum L.}, journal = {Journal of Biomolecular Structure and Dynamics}, volume = {24}, year = {2018}, month = {NOV}, pages = {1-9}, type = {Article}, abstract = {Kunitz-type trypsin inhibitors bind to the active pocket of trypsin causing its inhibition. Plant Kunitz-type inhibitors are thought to be important in defense, especially against insect pests. From sequence analysis of various Kunitz-type inhibitors from plants, we identified CaTI2 from chickpea as a unique variant lacking the functionally important arginine residue corresponding to the soybean trypsin inhibitor (STI) and having a distinct and unique inhibitory loop organization. To further explore the implications of these sequence variations, we obtained the crystal structure of recombinant CaTI2 at 2.8{\r A} resolution. It is evident from the structure that the variations in the inhibitory loop facilitates non-substrate like binding of CaTI2 to trypsin, while the canonical inhibitor STI binds to trypsin in substrate like manner. Our results establish the unique mechanism of trypsin inhibition by CaTI2, which warrant further research into its substrate spectrum. Abbreviations BApNA Nα-Benzoyl-L-arginine 4-nitroanilide BPT bovine pancreatic trypsin CaTI2 Cicer arietinum L trypsin inhibitor 2 DrTI Delonix regia Trypsin inhibitor EcTI Enterolobium contortisiliquum trypsin inhibitor ETI Erythrina caffra trypsin inhibitor KTI Kunitz type inhibitor STI soybean trypsin inhibitor TKI Tamarindus indica Kunitz inhibitor Communicated By Ramaswamy H. Sarma.}, author = {Bendre, A.D. and Suresh, C.G. and Shanmugam, D. and Ramasamy, S.} } @article {44551, title = {Structure and function of a highly active Bile Salt Hydrolase (BSH) from Enterococcus faecalis and post-translational processing of BSH enzymes}, journal = {Biochim Biophys Acta.}, volume = {1866}, year = {2018}, month = {JAN}, pages = {507-518}, type = {Journal Article}, abstract = {Bile Salt Hydrolase (BSH), a member of Cholylglycine hydrolase family, catalyzes the de-conjugation of bile acids and is evolutionarily related to penicillin V acylase (PVA) that hydrolyses a different substrate such as penicillin V. We report the three-dimensional structure of a BSH enzyme from the Gram-positive bacteria Enterococcus faecalis (EfBSH) which has manifold higher hydrolase activity compared to other known BSHs and displays unique allosteric catalytic property. The structural analysis revealed reduced secondary structure content compared to other known BSH structures, particularly devoid of an anti-parallel β-sheet in the assembly loop and part of a β-strand is converted to increase the length of a substrate binding loop 2. The analysis of the substrate binding pocket showed reduced volume owing to altered loop conformations and increased hydrophobicity contributed by a higher ratio of hydrophobic to hydrophilic groups present. The aromatic residues F18, Y20 and F65 participate in substrate binding. Thus, their mutation affects enzyme activity. Docking and Molecular Dynamics simulation studies showed effective polar complementarity present for the three hydroxyl (-OH) groups of GCA substrate in the binding site contributing to higher substrate specificity and efficient catalysis. These are unique features characteristics of this BSH enzyme and thought to contribute to its higher activity and specificity towards bile salts as well as allosteric effects. Further, mechanism of autocatalytic processing of Cholylglycine Hydrolases by the excision of an N-terminal Pre-peptide was examined by inserting different N-terminal pre-peptides in EfBSH sequence. The results suggest that two serine residues next to nucleophile cysteine are essential for autocalytic processing to remove precursor peptide. Since pre-peptide is absent in EfBSH the mutation of these serines is tolerated. This suggests that an evolution-mediated subordination of the pre-peptide excision site resulted in loss of pre-peptide in EfBSH and other related Cholylglycine hydrolases.}, keywords = {autocatalytic processing, Bile salt hydrolase, molecular dynamics, Mutagenesis, Polar complementarity, X-ray crystallography}, issn = {15709639}, doi = {0.1016/j.bbapap.2018.01.003.}, author = {Chand, D.}, editor = {Panigrahi, P.} } @article {44628, title = {Studies on CL-20/HMX (2:1) cocrystal: a new preparation method and structural and thermokinetic analysis}, journal = {Crystal Growth \& Design}, volume = {18}, year = {2018}, month = {JUL}, pages = {3781-3793}, abstract = {

A new preparation method for CL-20/HMX (2:1) cocrystal has been established at the laboratory level that is amenable for scale up. Solvent evaporation from a saturated solution of the stoichiometric mixture in the presence of a high boiling antisolvent, comparatively a very efficient and cheaper method, yielded pure cocrystals. Cocrystals were well characterized by spectroscopic, thermoanalytical tools, X-ray diffraction, and microscopic techniques. A correlation of percentage of cocrystal formation with evaporation rate has been obtained through quantitative analysis using Raman spectrometry. An evaporation rate of \<1 mL/min consistently produced pure cocrystal confirmed by Raman and powder X-ray diffraction analysis. Thermokinetic analysis suggests the cocrystal to be more stable than CL-20 with an energy of activation of 65 kcal/mol, higher than CL-20 but inferior to HMX. Significant augmentation in the values of k and A over CL-20 justified a faster decomposition rate. Enhanced insensitivity toward friction and impact forces and higher measured velocity of detonation indicate improved performance on incorporation into high explosive formulations.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.8b00015}, author = {Ghosh, Mrinal and Sikder, Arun K. and Banerjee, Shaibal and Gonnade, Rajesh G.} } @article {45525, title = {Study of photoelectrochemical conductivity mechanism and electrochemical impedance spectroscopy of bulk CuInTe2 {\textendash} Electrolyte interface}, journal = {Surfaces and interfaces}, volume = {12}, year = {2018}, month = {SEP }, pages = {202-212}, type = {Article}, abstract = {CuInTe2 (CIT) thin films were electrochemically deposited in an aqueous electrolyte on fluorine doped tin oxide (FTO) coated glass substrates for potentials ranging from -0.6 V to -0.9 V at pH 4. Films were annealed at 400 {\textdegree}C for 15 min in air ambient. Both as-deposited and annealed layers were characterized by various characterization techniques. The conductivity type of the CIT layers was studied by photoelectrochemical (PEC) response and solid{\textendash}electrolyte interface by impedance spectroscopy. As-deposited samples confirmed amorphous nature of CIT in contrast to that of polycrystalline films obtained upon annealing. Three prominent reflections (1 1 2), (2 2 0)/(2 0 4) and (3 1 2)/(1 1 6) of chalcopyrite CIT were obtained upon annealing. The optical band gap values \~{}0.90 eV and 1.08 eV and \~{}0.88 eV and 1.01 eV were estimated for as-deposited and annealed CIT layers deposited at -0.7 V and -0.8 V respectively. The most prominent A1 mode observed at 123 cm-1 in the Raman spectra of chalcopyrite CIT was shifted towards lower wavelengths due to the development of tensile strain. Very compact, well adhesive and void free globular layers were deposited at pH 4. The indium content was found to be increased with increasing the deposition potential which agrees well with the overpotential deposition of indium. Photoelectrochemical (PEC) study confirms the growth of p-type CIT layers. The negative resistance at higher frequency domain (3 MHz to 10 kHz) from electrochemical impedance spectroscopy (EIS) confirms the power/energy giving nature of CIT/electrolyte interface at higher frequency and diffusion mechanism of ionic species dominate at lower frequency region}, issn = { 2468-0230}, doi = {10.1016/j.surfin.2018.05.012}, author = {Lakhe, M. G. and Rohom, A. B. and Londhe, P. U. and Bhand, G. R. and Chaure, N. B.} } @article {44545, title = {Study the effect of impact angle on slurry erosion wear of four different ductile materials}, journal = {Materials Today: Proceedings}, volume = {5}, year = {2018}, month = {APR }, pages = { 7561-7570}, type = {Journal Article}, abstract = {

The test rig fabricated for the present work has an ability to study the effect of orientation angle of erosion wear. The particles of Indian Standard sand (Quartz) selected as erodent for the present investigation because it is the most widely occurs in natural slurries. Experimental investigations on erosion behavior of ductile materials AISI SS304, AA 6063, Copper and Brass have been carried out using solid-water mixtures of the above erodent. The erosion wear due to solid-liquid mixture of IS Sand and tap water at different impact angles shows typical ductile erosion behavior for the selected materials. The maximum erosion is observed at 22.5{\textdegree} angle for AISI SS 304, 45o for AA 6063, 22.5o for Copper and 30o for Brass. The minimum erosion is observed at 90o orientation angle for all the materials. The eroded specimens were examined under the Scanning Electron Microscope (SEM) at minimum and maximum wear orientation angles. The SEM micrographs of eroded specimens depict the mechanism of material removal.

}, keywords = {AA 6063, AISI SS304, brass, Copper, Quart, SEM, Slurry erosion}, issn = {22147853}, doi = {10.1016/j.matpr.2017.11.428}, author = {Nandre, Bhushan D. and Desale, Girish R.} } @article {44542, title = {Substituent-induced deformed ni{\textendash}porphyrin as an electrocatalyst for the electrochemical conversion of water into dioxygen}, journal = {European Journal of Inorganic Chemistry}, volume = {14}, year = {2018}, month = {APR}, pages = {1549-1555}, type = {Article}, abstract = {

The electrochemical water oxidation ability of complexes 5,15-diphenylporphinatonickel(II) (A) and 5,15-bis(3,5-di-tert-butylphenyl)porphinatonickel(II) (B) in the oxygen evolution reaction (OER) have been investigated in an alkaline medium. Complex B was found to be kinetically and thermodynamically more active than complex A. The overpotential and Tafel slope of complex B are lower than those of complex A by 30 mV and around 45 mV/decade, respectively, which supports the higher activity of B. Moreover, stability tests endorse the sustainability of both samples under alkaline conditions. It has been found that the 3,5-di-tert-butylphenyl substituent in B plays a decisive role in achieving a better OER onset potential and current than that obtained with A, which is a result of the modulation of the structural parameters of B. Furthermore, the measured OER activities of A and B have been correlated with their molecular arrangement as well as differences in their bonding characteristics and dipole moments. For further insight, the obtained results have been confirmed by a theoretical study.

}, issn = {14341948}, doi = {10.1002/ejic.201701427}, author = {Krishna, J. V. S. and Krishna, Narra Vamsi and Singh, Santosh K. and Shaw, Pankaj K. and Dhavale, Vishal M. and Vardhaman, Anil Kumar and Giribabu, Lingamallu} } @article {44536, title = {Subtle interaction between Ag and O 2 : a near ambient pressure UV photoelectron spectroscopy (NAP-UPS) investigations}, journal = {Journal of Chemical Sciences}, volume = {130}, year = {2018}, month = {MAR}, pages = {30}, type = {Journal Article}, abstract = {The Ag-O2 interaction, which is at the center-stage of Ag-catalyzed partial oxidation reactions, is studied with NAP-UPS up to 0.2 mbar O2 pressure between 295 and 550 K. Three temperature regimes were identified for distinct Ag-O2 interaction, which are (a) 295{\textendash}390 K, where mainly dissociative chemisorption of O2 happens, (b) 390{\textendash}450 K, where diffusion of O-atoms into the sub-surfaces of Ag is prominent, and (c) >450 K, where metastable oxide forms on polycrystalline Ag surfaces. The work function (WF) of Ag changed from 4.95 (<=390 K) to 5.30 eV (390{\textendash}450 K), and then to 5.7 eV (>=450 K) at 0.1 mbar O2 pressure. Oxygen population in the sub-surfaces imparts crucial modifications to Ag at 390{\textendash}450 K; it makes the surface to be electron-deficient that relates to the change in the WF of Ag and facilitates the formation of space charge layer on Ag surface. Oxygen adsorbed on such modified Ag-surfaces is electrophilic in nature, and this appears at a higher binding energy in core level XPS than the chemisorbed oxygen on metallic Ag. This is supported by angle-dependent NAP-XPS studies. The subsurface population of oxygen in Ag no longer persists at >410 K when the O2 supply is removed. A high ratio of antibonding/bonding O 2p bands suggests the unique silver-oxygen interaction under the measurement conditions.}, keywords = {Electronic Structure, epoxidation, heterogeneous catalysis, Surface Science}, issn = {9743626}, doi = {10.1007/s12039-018-1434-3}, author = {Ghosalya, Manoj Kumar}, editor = {Reddy, Kasala Prabhakar} } @article {44161, title = {Sucrose capped gold nanoparticles as a plasmonic chemical sensor based on non-covalent interactions: application for selective detection of vitamins B-1 and B-6 in brown and white rice food samples}, journal = {Food Chemistry}, volume = {250}, year = {2018}, month = {JUN}, pages = {14-21}, type = {Article}, abstract = {

We report simple and selective method for detection of vitamins B-1 and B-6 in brown and white rice samples using localized surface plasmon resonance (LSPR) of sucrose capped gold nanoparticles (AuNPs) as a chemical sensor colorimetrically. Here, detection is based on the color change of AuNPs from pink to blue followed by a red shift of LSPR absorption band in UV-vis region with the addition of vitamins B-1 and B-6 into the NPs solution. A good linear range was observed in the range of 25-1000 ngmL(-1) with detection limit of 8 ngmL(-1) for B-1 and 50-1000 ngmL(-1) with detection limit of 15 ngmL(-1) for vitamins B-6. The employment of AuNPs for detection of B-1 and B-6 vitamins in rice food samples showed remarkable abilities in terms of the simplicity, low cost, stability, reproducibility and sensitivity.

}, doi = {10.1016/j.foodchem.2018.01.002}, author = {Shrivas, Kamlesh and Nirmalkar, Nidhi and Thakur, Santosh Singh and Deb, Manas Kanti and Shinde, Sandip S. and Shankar, Ravi} } @article {44188, title = {Superior HIV-1 TAR binders with conformationally constrained R52 arginine mimics in the Tat(48-57) peptide}, journal = {Chemmedchem}, volume = {13}, year = {2018}, month = {FEB }, pages = {220-226}, type = {Article}, abstract = {

We report a 100-fold increase in binding affinity of the Tat(48-57) peptide to HIV-1 transcriptional activator-responsive element (TAR) RNA by replacing Arg52, an essential and critical residue for Tat{\textquoteright}s specific binding, with (2S,4S)-4-guanidinoproline. The resulting Tat1M peptide is a far superior binder than Tat1M, a peptide containing another conformationally constrained arginine mimic, (2S,4S)-4-amino-N-(3-guanidinopropyl)proline, or even the control Tat peptide (CtrlTat) itself. Our observations are supported by circular dichroism (CD), isothermal titration calorimetry (ITC), gel electrophoresis and UV spectroscopy studies. Molecular dynamics simulations suggest increased interactions between the more compact Tat1M and TAR RNA, relative to CtrlTat. The CD signature of the RNA itself remains largely unchanged upon binding of the peptides. The Tat mimetics further have better cell uptake properties than the control Tat peptide, thus increasing their potential application as specific TAR-binding molecules.

}, keywords = {antiviral agents, arginine mimics, RNA, Tat peptide analogues, Tat-TAR binding}, issn = {1860-7179}, doi = {10.1002/cmdc.201700653}, author = {Bhosle, Govind S. and Kharche, Shalmali and Kumar, Santosh and Sengupta, Durba and Maiti, Souvik and Fernandes, Moneesha} } @article {44609, title = {Superprotonic conductivity in flexible porous covalent organic framework membranes}, journal = {Angewandte Chemie}, volume = {57}, year = {2018}, month = {AUG}, pages = {10894-10898}, type = {Article}, abstract = {

Poor mechanical stability of the polymer electrolyte membranes (PEMs) remains one of the bottlenecks towards improving the performance of the proton exchange membrane (PEM) fuel cells. The present work proposes a unique way to utilize crystalline covalent organic frameworks (COFs) as a self-standing, highly flexible membrane to further boost the mechanical stability of the material without compromising its innate structural characteristics. The as-synthesized p-toluene sulfonic acid loaded covalent organic framework membranes (COFMs) showing the highest proton conductivity amongst all crystalline porous organic polymeric materials reported till date, as high as 7.8 x 10-2 S cm-1, have been further tested under real PEM operating conditions to ascertain their practical utilization as proton exchange membranes. Attainment of 24 mW cm-2 power density, which is the highest among COFs and MOFs, highlights the possibilityof using a COF membrane over the other state-of-the-art crystalline porous polymeric materials reported to date.

}, doi = {10.1002/ange.201804753}, author = {Banerjee, Rahul and Sasmal, Himadri Sekhar and Harshitha, B. A. and Bhange, Siddheshwar and Karak, Suvendu and Halder, Arjun and Kurungot, Sreekumar} } @article {44533, title = {Supramolecular complexes of poly(3-Hexylthiophene)-block (and random)-poly[3-(2-(6-carboxyhexyl)methyl)thiophene] copolymers with perylene bisimide}, journal = {Journal of Polymer Science Part A: Polymer Chemistry}, volume = {56}, year = {2018}, month = {MAY}, pages = {1574-1583}, type = {Journal Article}, abstract = {Block and random copolymers of poly(3-hexylthiophene) and poly[3-(2-(6-carboxyhexyl)methyl)thiophene] with side-chain carboxylic functionality ((P3HT-b-P3COOH) and (P3HT-r-P3COOH) were developed by Grignard Metathesis (GRIM) polymerization. The carboxylic functionality was introduced in the side chain via the oxazoline route. Both the block and random polythiophene copolymers were complexed with pyridine functionalized perylene bisimide to obtain supramolecular block and random polymer complexes. The complex formation in both systems was confirmed by 1H NMR, WXRD and SAXS studies. An expansion of d spacing upon complex formation was observed in both the block and random copolymer, which could be traced by WXRD. Hole and electron mobilities measured for the supramolecular complexes indicated values which were higher by an order of magnitude for the supramolecular block complex (μh ≈ 2.9 {\texttimes} 10-4 cm2/Vs; μe ≈ 3.1 {\texttimes} 10-6 cm2/Vs) as compared to the random (μh ≈ 1.4 {\texttimes} 10-5 cm2/Vs; μe ≈ 4.7 {\texttimes} 10-7 cm2/Vs) copolymer. These results are indicative of the higher degree of disorder prevailing in the films of random copolymer system compared to the block copolymer.}, keywords = {block and random polythiophene, perylene bisi-mide, Self-assembly}, issn = {0887624X}, doi = {10.1002/pola.29042}, author = {Shinde, Shekhar}, editor = {Vijayan, Raaghesh} } @article {44604, title = {Supramolecular reassembly of self-exfoliated ionic covalent organic nanosheets for label-free detection of double-stranded DNA}, journal = {Angewandte Chemie-International Edition}, volume = {57}, year = {2018}, month = {JUL }, pages = {8443-8447}, abstract = {

Ionic covalent organic nanosheets (iCONs), a member of the two-dimensional (2D) nanomaterials family, offer a unique functional platform for a wide range of applications. Herein, we explore the potential of an ethidium bromide (EB)-based covalent organic framework (EB-TFP) that self-exfoliates in water resulting in 2D ionic covalent organic nanosheets (EB-TFP-iCONs) for the selective detection of double-stranded DNA (dsDNA). In an aqueous medium, the self-exfoliated EB-TFP-iCONs reassemble in the presence of dsDNA resulting in hybrid EB-TFP-iCONs-DNA crystalline nanosheets with enhanced fluorescence at 600 nm. Detailed steady-state and time-resolved emission studies revealed that the reassembly phenomenon was highly selective for dsDNA when compared to single-stranded DNA (ssDNA), which allowed us to use the EB-TFP-iCONs as a 2D fluorescent platform for the label-free detection of complementary DNA strands.

}, keywords = {Covalent organic framework, DNA, ionic assembly, ionic covalent organic nanosheets, label-free detection}, issn = {1433-7851}, doi = {10.1002/anie.201801352}, author = {Mal, Arindam and Mishra, Rakesh K. and Praveen, Vakayil K. and Khayum, M. Abdul and Banerjee, Rahul and Ajayaghosh, Ayyappanpillai} } @article {44529, title = {Surface colonized silver nano particles over chitosan poly-electrolyte micro-spheres and their multi-functional behavior}, journal = {Materials Research Express}, volume = {5}, year = {2018}, month = {FEB }, pages = { 025032}, type = {Journal Article}, abstract = {hitosan/tripolyphosphate polyelectrolyte (TPP) microspheres, decorated and surface functionalized with silver nanoparticles (NPs) of average diameter of 15 nm, were synthesized following a simple two-step procedure. These Ag NP-functionalized polyelectrolyte microspheres (Ag-CSPMs) are found to be biocompatible and enhancing the reactive oxygen species in curcumin with excellent anti-bacterial activity for selected Gram-positive and negative bacterial strains, making them much attractive relative to bare surface counterparts; the well-stabilized silver NPs do not form any agglomerations on the surface of the chitosan microspheres. They also show excellent cytotoxic behavior towards MCF7 cell lines, showing a half-maximal inhibitory concentration (IC50) of 32 μg ml-1. Therefore, Ag-CSPMs exhibit multi-functional ability having potential towards theranostics applications.}, keywords = {antibacterial properties, Chitosan, Cytotoxicity, reactive oxygen species, silver nanoparticles, theranostics}, issn = {20531591}, doi = { 10.1088/2053-1591/aaa3c6}, author = {Prakash, B.}, editor = {Asha, S.} } @article {44525, title = {Surface functionalized fluorescent PS nanobead based dual-distinct solid state sensor for detection of volatile organic compounds}, journal = {Analytical Chemistry}, volume = {90}, year = {2018}, month = {MAY}, pages = {7434{\textendash}7441}, type = {Journal Article}, abstract = {Solid state emitting, distinctly dual vapor sensors with high quantum yield was developed using polystyrene incorporating two fluorophores following a miniemulsion polymerization method. Selective functionalization with carboxy and amine functionality was used to decorate the resulting polystyrene nanobeads having both perylenebisimide (PBI) and oligo (p-phenylenevinylene) (OPV) fluorophores. These nanobeads with a size of 70{\textendash}180 nm showed near white emission under UV light. On contact with vapors of specific electron deficient nitroaromatics OPV emission got selectively quenched to show yellow emission from the nanobeads under UV radiation. Exposure to amine vapor quashed PBI emission selectively resulting in blue emission under UV lamp. Such a vast range of color alteration from white to either blue or yellow from the same sensor makes it a true dual analyte sensor with two distinct outputs. Control of surface functionality (-COOH, -NH2, and neutral) on the nanobeads played a pivotal role in boosting the sensing efficiency; introduction of functionality on the surface facilitated analyte-sensor interaction through hydrogen bonding, prompting their fast responsiveness. Real time, potential device based application was demonstrated with free-standing films which was capable of efficient detection with fast analyte exchange from dilute solutions. Recyclability of the film sensor was demonstrated with 8 cycles of reuse.}, issn = {32700}, doi = {10.1021/acs.analchem.8b00936}, author = {Makkad, Sarabjot Kaur}, editor = {Asha, SK} } @article {44519, title = {Surface modification of polymers for tissue engineering applications: arginine acts as a sticky protein equivalent for viable cell accommodation}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {APR }, pages = {4242{\textendash}4251}, type = {Journal Article}, abstract = {

Hydrophobic polymers, for their favorable mechanical properties, are a popular choice as permanent bioimplants. These materials remain absolutely bioinert for years, but throw up challenges when it comes to fast integration with healthy tissue. Addressing this, herein, we present a surface-modification technique of converting the hydrophobic surface of a polymeric film into a hydrophilic one using a layer-by-layer assembly process involving gold nanoparticles and small molecules like amino acids. These films showed much improved animal cell (murine fibroblast) adherence properties compared to commercially available tissue culture plates. Moreover, arginine-modified films exhibited a nearly equivalent cell viability compared to the films modified with the natural extracellular matrix component fibronectin. The surface hydrophilicity and roughness of our novel film were characterized by contact angle measurement and atomic force microscopy. Cell counting, fluorescence microscopy, cell viability, and collagen estimation assay were employed to demonstrate that our film favored a much improved cell adherence, and accommodation in comparison to the commercially available tissue culture plates.

}, keywords = {Cell and Molecular biology, Extracellular matrix proteins, Nanoparticles, Physical and chemical properties, Polymers, Proteins, Surface structure, Surface treatment, Thin films, tissue engineering}, issn = {24701343}, doi = { 10.1021/acsomega.8b00215}, author = {Sengupta, Poulomi}, editor = {Prasad, Bhagavatula L. V.} } @article {44518, title = {Sustainability assessment of brick work for low-cost housing: a comparison between waste based bricks and burnt clay bricks}, journal = {Sustainable Cities and Society}, volume = {37}, year = {2018}, month = {FEB }, pages = {396-406}, type = {Journal Article}, abstract = {Manufacturing of bricks, using clay or fly ash, is one of the major contributors to greenhouse gas emissions as their manufacturing involves utilization of coal and cement. To overcome this limitation, alternative construction materials are developed by author using industrial and agro wastes like cotton mill waste, recycled paper mill waste, and rice husk ash. This work aims at performing a sustainability assessment of burnt clay bricks and bricks made of industrial and agro wastes used for brickwork in a low-cost house. The criteria considered for the assessment are economic, environmental, social, and technical aspects for manufacture of bricks and use of different bricks for brickwork. For the evaluation of environmental criterion, a life cycle assessment (LCA) tool is used. Overall sustainability index (SI) is calculated for alternatives based on the various criteria using MIVES approach. The relative SIs of clay and fly ash bricks, were 0.25 and 0.26, respectively. Overall, bricks made of industrial and agro wastes are found more sustainable with the highest SI for cotton waste bricks (0.94). Sensitivity analysis also confirmed that brickwork from waste based bricks is more sustainable compared to brickwork made from clay brick or fly ash brick.}, keywords = {Life cycle assessment, Low cost housing, Multicriteria decision, Sustainability index, Sustainable construction material}, issn = {22106707}, doi = {10.1016/j.scs.2017.11.025}, author = {Joglekar, S. N.}, editor = {Kharkar, R. A.} } @article {44358, title = {Syntheses and single crystal X-ray diffraction analysis of five isostructural 2D MOCCs}, journal = {Polyhedron}, volume = {147}, year = {2018}, month = {JUN}, pages = {49-54}, type = {Article}, abstract = {Five two-dimensional metal-organic coordination compounds (MOCCs) have been solvothermally synthesized by the combination of 2-aminonicotinic acid (ANA) and transition metal ions, viz. Co(II), Ni (II), Cu(Il), Zn(II) and Cd(II), in water-ethanol mixed solvent. They are formulated as [CoC6H5N2O2)(2)], (Co-ANA); [Ni(C6H5N2O2)(2)], (Ni-ANA) [Cu(C6H5N2O2)(2)], (Cu-ANA), [Zn(C6H5N2O2)(2)], (Zn-ANA) and [Cd(C6H5N2O2)(2)], (Cd-ANA). Single crystal X-ray diffraction studies for the complexes Co-ANA, Ni-ANA and Cd-ANA have also been carried out. These three complexes crystallize in the tetragonal crystal system with the space group P4(1)2(1)2. The metal ions in all these complexes have an octahedral coordination environment. The six coordinations are satisfied by two pyridine N-atoms from two different ANA ligands and four oxygen atoms from two chelating carboxylate groups of another two ANA ligands. The topological motif of the coordination network is defined as 2-periodic net or square lattice (sql). These complexes were further characterized by elemental, FT-IR spectral, thermal and powder X-ray diffraction analyses. (C) 2018 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.poly.2018.02.031}, author = {Singh, Sandeep K. and Srivastava, Krishna and Banerjee, Rahul and Prasad, Jagdish} } @article {45366, title = {Synthesis and anticancer activity of conformationally constrained Smac mimetics containing pseudo beta turns}, journal = {Tetrahedron Letters }, volume = {59}, year = {2018}, month = {SEP}, pages = {3473-3476}, type = {Article}, abstract = {Herein, we report synthesis and in vitro anticancer activity of conformationally constrained Smac mimetics containing reverse turn inducing motifs "Ant-Pro" and "sAnt-Pro". The synthesis of Smac analogs with diverse hydrophobic groups at the C-terminus was carried out using solution phase peptide synthesis. The synthesis of Ant-Pro containing analogs 3a-j was carried out by ring opening of benzoxazinones 7a-c, whereas, their sulfonamide counterparts 4a-h were synthesized by using routine acid-amine coupling reaction. In vitro anticancer studies against breast cancer cell line MDA-MB-231 revealed that some of the new analogs had better anticancer activity than the standard AVPI Smac tetrapeptide. (C) 2018 Published by Elsevier Ltd.}, doi = {10.1016/j.tetlet.2018.08.016}, author = {Baravkar, Sachin B. and Wagh, Mahendra A. and Paul, Debasish and Santra, Manas and Sanjayan, Gangadhar J.} } @article {45549, title = {Synthesis and anticancer studies of michael adducts and heck arylation products of sesquiterpene lactones, zaluzanin D and zaluzanin C from vernonia arborea}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {NOV}, pages = {38289-38304}, type = {Article}, abstract = {Sesquiterpene lactones containing α-methylene-γ-lactones, zaluzanin D 1 and zaluzanin C 2 were isolated from the leaves of Vernonia arborea. Several diverse Michael adducts (3{\textendash}22) and Heck arylation analogs (23{\textendash}34) of 1 have been synthesized by reacting with various amines and aryl iodides, respectively and were assayed for their in vitro anticancer activities against human breast cancer cell lines MCF7 and MDA-MB-231. Among all the synthesized analogs, Michael adducts 9 and 10 showed better anticancer activities as compared to 1. However, among these compounds, only 10 has minimal cytotoxic effect on normal breast epithelial MCF10A cells. Our detailed mechanistic studies reveal that compounds 9 and 10 execute their antiproliferative activity through induction of apoptosis and thereby inhibit the cancer cells proliferation and compound 10 could be a lead compound for designing potential anti-cancer compound.}, doi = {10.1039/c8ra06238b}, author = {Valkute, T.R. and Aratikatla, E.K. and Gupta, N.A. and Ganga, S. and Santra, M.K. and Bhattacharya, A.K.} } @article {45543, title = {Synthesis and antitumor activity evaluation of 2-aminothiazoles appended 5-methylisoxazoline and pyridine-piperazine hybrid molecules}, journal = {Letters in Organic Chemistry}, volume = {15}, year = {2018}, month = {NOV}, pages = {1070-1077}, type = {Article}, abstract = {A highly efficient and milder protocol for the syntheses of novel series of 2-aminothiazoles bearing 5-methylisoxazoline and pyridine-piperazine hybrid molecules has been developed. The target compounds 13a-e were screened for their in vitro cytotoxicity activity against various tumor cell lines including MCF-7 (human breast adenocarcinoma), HCT-116 (colorectal carcinoma), Jurkat (human T-cell leukemia) and THP-1 (human acute monocytic leukemia). The bioactive assay showed that the most of the new compounds exhibited promising results in comparison with the parental Sunitinib. The synthesized compounds could well be used in the future as lead anticancer drugs in drug development studies. The synthesized compounds were fully characterized by IR,1 H NMR,13 C NMR, elemental analysis and mass spectral data. }, doi = {10.2174/1570178615666180430122641}, author = {Suresh, G. and Nadh, R.V. and Srinivasu, N. and Yennity, D.} } @article {44197, title = {Synthesis and biological evaluation of new 2-aryl-4-((4-aryl-1H-1,2,3-triazol-1-yl)methyl)thiazole derivatives}, journal = {Research on Chemical Intermediates}, volume = {44}, year = {2018}, month = {FEB}, pages = {1247-1260}, type = {Article}, abstract = {

A series of 2-aryl-4-((4-aryl-1H-1,2,3-triazol-1-yl)methyl)thiazole derivatives (8a-p) have been synthesized. The structure of the newly synthesized compounds was determined by spectral analysis. The title compounds were screened for their preliminary antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB, ATCC 25177) and Mycobacterium bovis BCG (BCG, ATCC 35743). Further, the synthesized compounds were screened for antimicrobial activity against standard Gram-negative bacteria Escherichia coli (NCIM 2576) and Pseudomonas flurescence (NCIM 2059) and Gram-positive bacteria Staphylococcus aureus (NCIM 2602) and Bacillus subtilis (NCIM 2162). Among all the synthesized compounds, 8a-c, f-h, m exhibited good activity against dormant M. bovis BCG strain. Compounds 8h, j exhibited good activity against all tested bacterial strains. All active compounds were screened for cytotoxicity and found inactive. Their high potency and promising antimycobacterial activity suggest that these compounds could serve as good leads for further optimization and development.

}, keywords = {1, 2, 3-Triazole, antibacterial activity, Antitubercular activity, Thiazole}, issn = {0922-6168}, doi = {10.1007/s11164-017-3164-4}, author = {Shinde, Vikas and Mahulikar, Pramod and Mhaske, Pravin C. and Nawale, Laxman and Sarkar, Dhiman} } @article {44512, title = {Synthesis and biological evaluation of novel triazole-biscoumarin conjugates as potential antitubercular and anti-oxidant agents}, journal = {Research on Chemical Intermediates}, volume = {44}, year = {2018}, month = {MAY}, pages = {1-28}, type = {Journal Article}, abstract = {

The synthesis of a new series of triazole-biscoumarin conjugates by using a molecular hybridization approach is described. The newly synthesized compounds 6a{\textendash}k were evaluated for their in vitro antitubercular activity against active and dormant Mtb H37Ra and anti-oxidant activity against DPPH radical scavenging. Molecular docking simulations for the antitubercular activity showed that the conjugates 6a{\textendash}k bind in the pocket of the DprE1 enzyme. Most of the conjugates displayed good antitubercular activity against both the active and dormant Mtb H37Ra strain. The compound 6h displayed very good antitubercular activity against dormant Mtb H37Ra with an IC50 value of 1.44 μg/mL. Most of the synthesized conjugates exhibit excellent anti-oxidant activity with an IC50 of less than the standard BHT. Compound 6b is the most active among all the conjugates with an IC50 value of 08.17 {\textpm} 0.11 μg/mL. The molecular docking study shows good agreement between the observed antitubercular activity and the binding affinity.

}, keywords = {1, 2, 3-triazoles, Anti-oxidant activity, Antitubercular activity, Biscoumarins, Molecular docking}, issn = {9226168}, doi = {10.1007/s11164-018-3490-1}, author = {Danne, Ashruba B.}, editor = {Choudhari, Amit S.} } @article {44509, title = {Synthesis and biological evaluation of some bicyclic [2-(2,4-dimethylphenylthio)phenyl] aniline and its amide derivatives as potential antitubercular agents}, journal = {Journal of Chemical Sciences}, volume = {130}, year = {2018}, month = {FEB }, pages = {22}, type = {Journal Article}, abstract = {

In the present investigation, a series of bicyclic [2-(2,4-dimethylphenylthio)phenyl] aniline analogues were synthesized and characterized by IR, NMR (1H and 13C) and mass spectra. All newly synthesized 15 compounds were inspected for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra in both active and dormant state using an established XTT Reduction Menadione assay (XRMA). The titled compounds exhibited minimum inhibitory concentration (MIC90) ranging from 0.05 to \>30 (μg/mL). The potent four compounds were further evaluated in THP-1 infection model where they demonstrated significant antitubercular activity. All the ex vivo active were further evaluated for cytotoxic activity against THP-1, MCK7 and HeLa cell lines in order to check selectivity index. All compounds were further screened against four different bacteria to assess their selectivity towards MTB. These derivatives could be considered as a precursor structure for further design of antituberculosis agent.

}, keywords = {4-dimethylphenylthio)phenyl] aniline, antituberculosis activity, Cytotoxicity, [2-(2}, issn = {9743626}, doi = {10.1007/s12039-018-1424-5}, author = {Patil, Yogesh and Shingare, Ramesh} } @article {44650, title = {Synthesis and biological evaluation of some new tricyclic pyrrolo[3,2-e]tetrazolo[1,5-c]pyrimidine derivatives as potential antitubercular agents}, journal = {Archiv Der Pharmazie}, volume = {351}, year = {2018}, month = {AUG}, pages = {e1800040}, abstract = {

A series of new tricyclic pyrrolo[3,2-e]tetrazolo[1,5-c]pyrimidines 8a-l were synthesized and characterized by IR, NMR (H-1 and C-13), and mass spectral analysis. The newly synthesized compounds 8a-l were inspected for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra using an established XTT reduction menadione assay (XRMA). The title compounds exhibited minimum inhibitory concentrations (MIC90) ranging from 0.09 to \>30g/mL. Five compounds (8c, 8i-l) were further confirmed for their dose-dependent effect against MTB. These compounds were evaluated in the THP-1 infection model, where 8i (MIC90=0.35g/mL), 8j (MIC90=1.17g/mL), 8k (MIC90=2.38g/mL), and 8l (MIC90=1.17g/mL) demonstrated significant antitubercular activity. All the ex vivo active compounds showed insignificant cytotoxicity against the human cancer cell lines, HeLa, MCF-7, and THP-1. Inactivity of all these compounds against Gram positive and Gram negative bacteria indicates their specificity. Molecular docking studies in the active site of the sterol 14alpha-demethylase (CYP51) enzyme revealed a similar binding mode to the native ligand in the crystal structure, thereby helping to understand the ligand-protein interactions and to establish a structural basis for inhibition of MTB. The results suggest novel pharmacophores as selective and specific inhibitors against MTB that can be explored further to synthesize lead compounds against tuberculosis. In summary, the results clearly indicate the identification of some novel, selective, and specific inhibitors against MTB that can be explored further for potential antitubercular drugs.

}, keywords = {2-e]tetrazolo[1, 5-c]pyrimidine, Antituberculosis, Cytotoxicity, Molecular docking, tricyclic pyrrolo[3}, issn = {0365-6233}, doi = {10.1002/ardp.201800040}, author = {Patil, Yogesh and Shingare, Ramesh and Choudhari, Amit and Borkute, Rachana and Sarkar, Dhiman and Madje, Balaji R.} } @article {45400, title = { Synthesis and characterization of partially bio-based polyimides based on biphenylene-containing diisocyanate derived from vanillic acid }, journal = {European Polymer JOurnal }, volume = {109}, year = {2018}, month = { DEC}, pages = {257-264}, type = {Article }, abstract = {A new bio-based biphenylene-containing diisocyanate, namely, 5,5{\textquoteright}-diisocyanato-2,2{\textquoteright},3,3{\textquoteright}-tetramethoxy-1,1{\textquoteright}-biphenyl (BDI) was synthesized starting from vanillic acid - a lignin-derived phenolic acid. A series of new partially bio-based polyimides was prepared by polycondensation of BDI with five commercially available aromatic dianhydrides. Polyimides exhibited good solubility in organic solvents and medium molecular weights (Mn (GPC, polystyrene standard) = 25,100-32,200 g mol(-1)). Polyimides showed good thermal stability with 10\% degradation temperature and glass transition temperature in the range 459-473 degrees C and 262-329 degrees C, respectively.}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2018.09.054}, author = {Kuhire, Sachin S. and Ichake, Amol B. and Grau, Etienne and Cramail, Henri and Wadgaonkar, Prakash P.} } @article {44498, title = {Synthesis, biological evaluation, and molecular docking study of pyridine clubbed 1,3,4-oxadiazoles as potential antituberculars}, journal = {Synthetic Communications}, volume = {48}, year = {2018}, month = {JAN}, pages = {524-540}, type = {Journal Article}, abstract = {

A series of pyridine clubbed 1,3,4-oxadiazole derivatives were efficiently synthesized, characterized by standard spectral techniques and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra and Mycobacterium bovis BCG in active and dormant state using an established methods. Compounds 5a, 5m, and 5t were identified as the most active compounds against MTB. Molecular docking was performed against MTB enoyl-ACP (CoA) reductase (FabI/ENR/InhA) enzyme to predict the binding modes and affinity. The theoretical predictions from molecular docking could establish a link between the observed biological activity and the binding affinity shedding light into specific bonded and non-bonded interactions influencing the activity. The active compounds were studied for cytotoxicity against three cell lines and were found to be non-cytotoxic. Specificity of these compounds was checked by screening them for their antibacterial activity against four bacterial strains.

}, keywords = {antibacterial activity, antituberculosis activity, cytotoxicity activity}, issn = {397911}, doi = {10.1080/00397911.2017.1410892}, author = {Desai, N. C.}, editor = {Trivedi, Amit} } @article {44241, title = {Synthesis, characterization, and gas permeation properties of adamantane-containing polymers of intrinsic microporosity}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {56}, year = {2018}, month = {JAN }, pages = {16-24}, type = {Article}, abstract = {

A new bis(catechol) monomer, namely, 4,4-((1r,3r)-adamantane-2,2-diyl)bis(benzene-1,2diol) (THADM) was synthesized by condensation of 2-adamantanone with veratrole followed by demethylation of the formed (1r,3r)-2,2-bis(3,4 dimethoxyphenyl)adamantane. Polycondensation of THADM and various compositions of THADM and 5,5,6,6-tetrahydroxy-3,3,3,3-tetramethylspirobisindane was performed with 2,3,5,6-tetrafluoroterephthalonitrile (TFTPN) to obtain the homopolymer and copolymers. These polymers demonstrated good solubility in common organic solvents such as dichloromethane, chloroform, and tetrahydrofuran and could be cast into tough films from their chloroform solutions. GPC analysis revealed that number average molecular weights of polymers were in the range 48,100-61,700 gmol(-1), suggesting the formation of reasonably high molecular weight polymers. They possessed intrinsic microporosity with Brunauer-Emmett-Teller (BET) surface area in the range 703-741 m(2)g(-1). Thermogravimetric analysis of polymers indicated that 10\% weight loss temperature was in the range 513-518 degrees C demonstrating their excellent thermal stability. THADM-based polymer of intrinsic microporosity (PIM) showed P(CO2)=1080, P(O-2)=232 and appreciable selectivity [(CO2/CH4)=22.6, (CO2/N-2)=26.7, and (O-2/N-2)= 5.7]. The gas permeability measurements revealed that with increase in the content of adamantane units in PIMs, selectivity increased and permeability decreased, following the trade-off relationship. The gas separation properties of PIMs containing adamantane units were located close to 2008 Robeson upper bound for gas pairs such as CO2/CH4, CO2/N-2, H-2/N-2, and O-2/N-2. (c) 2017 Wiley Periodicals, Inc.

}, keywords = {adamantane, Gas permeation, intrinsic microporosity, membranes, structure-property relations}, issn = {0887-624X}, doi = {10.1002/pola.28710}, author = {Shrimant, Bharat and Shaligram, Sayali V. and Kharul, Ulhas K. and Wadgaonkar, Prakash P.} } @article {45487, title = {Synthesis of 3-azidopiperidine skeleton employing ceric ammonium nitrate (CAN)-mediated regioselective azidoalkoxylation of enol ether: total synthesis of d-2 receptor agonist (+/-)-quinagolide}, journal = {Organic letters }, volume = {20}, year = {2018}, month = {NOV }, pages = {7011-7014}, type = {Article }, abstract = {The total synthesis of (+/-)-quinagolide, which is a D-2 receptor agonist, was accomplished via a ceric ammonium nitrate (CAN)-mediated regioselective azidoalkoxylation of enol ether route. Key features of the synthesis include Claisen rearrangement, PPTS (pyridinium p-toluene-sulfonate)-catalyzed one-pot acetal deprotection, followed by a diastereoselective Henry reaction, which enables construction of the required trans ring junction and CAN-mediated regioselective azidoalkoxylation of enol ether. The PPTS-catalyzed intramolecular diastereoselective Henry reaction to fix three contiguous stereocenters on tetrahydronaphthalene and the first-of-its-kind synthesis of the 3-azidopiperidine skeleton, using a CAN -mediated regioselective azidoalkoxylation of enol ether, are important findings of the present work.}, issn = {1523-7060}, doi = { 10.1021/acs.orglett.8b02900}, author = {Chavan, Subhash P. and Kadam, Appasaheb L. and Lasonkar, Pradeep B. and Gonnade, Rajesh G.} } @article {44507, title = {Synthesis of 4-difluoromethylquinolines by NHC-catalyzed umpolung of imines}, journal = { Organic Letters}, volume = {20}, year = {2018}, month = {JAN}, pages = {1086{\textendash}1089}, type = {Journal Article}, abstract = {The N-heterocyclic carbene (NHC)-catalyzed umpolung of aldimines for the synthesis of 4-difluoromethylquinoline derivatives is reported. In the presence of NHCs, the intramolecular cyclization of aldimines bearing a moderately electron-poor double bond due to the presence of the -CF3 group likely proceeds via the intermediacy of the aza-Breslow intermediate. The key to the success of this aza-Stetter type transformation is the NHC generated from the bicyclic triazolium salt using DBU as the base.}, issn = {15237060}, doi = {10.1021/acs.orglett.7b04055}, author = {Patra, Atanu}, editor = {Gelat, Fabien} } @article {44506, title = {Synthesis of biomass waste derived activated carbon-NBR composites for automobile application}, journal = {Chemistry and Chemical Technology}, volume = {12}, year = {2018}, pages = {236-243}, type = {Journal Article}, abstract = {

This paper reports on usability of activated carbon obtained from areca nut shell, coconut shell, and coconut leaves as a filler to prepare NBR based composite for automobile based application. The carbon was activated by phosphoric acid (H3PO4) as dehydrating agent. The stoichiometric ratio of biomass and phosphoric acid was found to be 3:1 for the batch size of 300 g. As compared to commercially available carbon filler, the activated carbon derived from biomass waste responded better to the petrol swelling test. Among three biomass waste sources, namely, areca nut shell, coconut shell, and coconut leaves, activated carbon derived from coconut shell was appeared to be the best for percent swelling and percent deviation in hardness. The results obtained are confirmed by proximate analysis.

}, keywords = {activated carbon, composites, hardness, NBR, Phosphoric acid}, issn = {19964196}, doi = {10.23939/chcht12.02.236}, author = {Jadhav, A. and Mohanraj, G.T. and Gokarn, A. and Mayadevi, S.} } @article {44505, title = {Synthesis of diesel additives from fructose over PWA/SBA-15 catalyst}, journal = {Fuel }, volume = {217}, year = {2018}, month = {JAN}, pages = {38-44}, type = {Journal Article}, abstract = {A series of composites of phosphotungstic acid (PWA) H3PW12O40 with SBA-15 were prepared by varying PWA amount from 5\% to 30\% by one-step sol-gel hydrothermal as well as by impregnation methods. Successful incorporation of PWA into the SBA-15 framework by sol-gel method was confirmed by 31P NMR in which a shifting of the peak due to tetrahedral {\textquoteleft}P{\textquoteright} atom of PWA from -14.32 and -14.49 ppm was observed. The composites exhibited both Br{\o}nsted and Lewis acidity, large and well distributed three dimensional interconnected pores with high surface areas exhibiting excellent activity for one pot synthesis of 5-(hydroxymethyl) furfural (5-HMF) and 5-(ethoxymethyl) furfural (EMF) from fructose. The minimum loading of 5\% of PWA in SBA-15, gave 78\% fructose conversion with the highest yield of 70\% towards 5-HMF. Increase in PWA loading up to 20\% resulted in the enhanced fructose conversion of 95\% accompanied by further etherification of 5-HMF to 67 and 12\% yield towards EMF and ethyl levulinate (EL), respectively. Increasing the \% of PWA in SBA-15 matrix resulted in increase in the acidity of the composites giving the yield trend as 5-HMF < EMF < EL. Catalyst prepared by sol-gel method showed excellent recyclability up to 3 reuses}, keywords = {5-(Ethoxymethyl) furfural, 5-(Hydroxymethyl) furfural, Phosphotungstic acid, SBA-15}, issn = {162361}, doi = {10.1016/j.fuel.2017.12.027}, author = {Patil, Chetana R.}, editor = {Rode, Chandrashekhar V.} } @article {44660, title = {Synthesis of ecofriendly fluorescent carbon dots and their biomedical and environmental applications}, journal = {Materials Technology}, volume = {33}, year = {2018}, month = {JAN}, pages = {672-680}, abstract = {

Green Synthesis of nanoparticles is an emerging field with enormous advantages over conventional synthesis methods. Herein we have reported a green method for the preparation of water soluble polydisperse carbon dots (c-dots) from Cocos nucifera frond pinnae by a modified version of the {\textquoteleft}single step hydrothermal carbonization{\textquoteright}. C-dots having blue emission were obtained with this method and we further evaluated the effect of metal ions interactions on c-dots, as a sharp decrease in photoluminescence was observed. The synthesized c-dots were found bioactive against B.subtilis, M. smegmatis and S. aureus as determined by the well diffusion assay. We also explored nanotheranostic applications of c-dots as biosensor matrix in DNA hybridization sensor for pancreatic cancer and in bioimaging of cancer cells. This study demonstrated that c-dots can be explored for numerous biomedical and environmental applications in a variety of fields owing to the cost effective synthesis, biocompatibility and excellent physico-chemical properties.

}, keywords = {Carbon dots, differential pulse voltammetry, DNA hybridization sensor, green synthesis, Pancreatic Cancer}, issn = {1066-7857}, doi = {10.1080/10667857.2018.1492683}, author = {Joshi, Preeti Nigam and Mathias, Anjelica and Mishra, Abhishek} } @article {44192, title = {Synthesis of furo[2,3-b]pyran-2-ones through Ag(I)- or Ag(I)-Au(I)-catalyzed cascade annulation of alkynols and alpha-ketoesters}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {FEB }, pages = {872-875}, type = {Article}, abstract = {

Ag(I)- or Ag(I)-Au(I)-catalyzed cascade annulation of alkynols (5-hexyn-1-ol systems) with a-ketoesters involving a dual activation process (pi and sigma) has been developed for the first time. This reaction proceeds through cycloisomerization of alkynol to give the 6-endo-enol ether followed by annulation with an alpha-ketoester to furnish furo[2,3-b]pyran-2-ones in good yields. Chemical structures of all products were rigorously confirmed by single crystal X-ray analysis and analogy.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.7b04027}, author = {Thorat, Sagar S. and Kataria, Priyanka and Kontham, Ravindar} } @article {44585, title = {Synthesis of heterogeneous Ru(II)-1,2,3-triazole catalyst supported over SBA-15: application to the hydrogen transfer reaction and unusual highly selective 1,4-disubstituted triazole formation via multicomponent click reaction}, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {JUL}, pages = {3246-3259}, abstract = {In the present study, we demonstrate a simple and efficient method for ligand formation and covalent anchoring to a heterogeneous support via click reaction. The complex tris(triphenylphosphine) ruthenium(II) dichloride [RuCl2(PPh3)(3)] anchored over the click modified ligand of SBA-15 forms a new highly efficient heterogeneous SBA-15-Tz-Ru(II) TPP catalyst. Solid state C-13, Si-29, and P-31 CP-MAS NMR spectra provide evidence for the formation of the heterogeneous catalyst. SBA-15-Tz-Ru(II) TPP catalyst was screened for the multicomponent click cycloaddition reaction in water medium as a green solvent and it exhibited unusual and excellent selectivity for the formation of 1,4-disubstituted triazole product under mild reaction condition. In addition, SBA-15-Tz-Ru(II) TPP catalyst also catalyzed the hydrogen transfer reaction of various carbonyl compounds with excellent catalytic activity to give the corresponding alcohols. The heterogeneous catalyst can be recycled and reused several times (five) without a loss in reactivity.}, doi = {10.1039/c7cy02619f}, author = {Sharma, Priti and Rathod, Jayant and Singh, A. P. and Kumar, Pradeep and Sasson, Yoel} } @article {45613, title = {Synthesis of hyaluronic acid hydrogels using click chemistry approach for biomedical applications}, journal = {Trends in carbohydrate research}, volume = {10}, year = {2018}, month = {JAN}, pages = {1-8}, type = {Article}, abstract = {Hyaluronic acid (HA) is one of the most versatile biomaterial which forms an essential component of an extracellular matrix (ECM) and plays a vital role in wide variety of biological processes. Inherent biocompatibility, biodegradability and presence of functional groups for modification make it an attractive material for the synthesis of hydrogels for biological applications. In the present work, we have explored an azide-alkyne click chemistry approach for the preparation of HA hydrogels. Furthermore, we incorporated the hydrolysable carbonate ester linkages which are known to cleave in the physiological environment. The hydrogels with carbonate ester linkages and incubated with drug molecules can be used for the slow release of drug molecules. The hydrogels synthesized using azide alkyne click chemistry was characterized using NMR and IR spectroscopy.}, author = {Gupta, N. and Tiwari, N. and Badiger, M.} } @article {44502, title = {Synthesis of key intermediate for (+)-tofacitinib through CoIII(salen)-catalyzed two stereocentered hydrolytic kinetic resolution of ({\^A}{\textpm})-methyl-3-(oxiran-2-yl)butanoate}, journal = { Synthetic Communications}, volume = {48}, year = {2018}, month = {MAR}, pages = {1045-1051}, type = {Journal Article}, abstract = {An enantiopure piperidine, a key intermediate for the synthesis of (+)-tofacitinib, has been achieved in high optical purity (98\% ee) from readily available crotyl alcohol. The key steps involved is a CoIII(salen)-OAc-catalyzed two stereocentered hydrolytic kinetic resolution of ({\textpm})-methyl-3-(oxiran-2-yl)butanoate.}, keywords = {enantioselective, Hydrolytic kinetic resolution, iodolactonization, γ-Butyralactone}, issn = {397911}, doi = {10.1080/00397911.2018.1434204}, author = {Kamble, Rohit B.}, editor = {Suryavanshi, Gurunath} } @article {44500, title = {Synthesis of novel alpha-aminophosphonate derivatives, biological evaluation as potent antiproliferative agents and molecular docking}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAY}, pages = {5552-5558}, type = {Journal Article}, abstract = {

A series of novel fluorine containing α-aminophosphonate derivatives (4 a{\textendash}4 q) were synthesized in excellent yield and high purity. All these novel Fluorinated α-aminophosphonate compounds were screened for antiproliferative and apoptosis activity on human non small cell lung carcinoma cells (A549) and human skin melanoma cells (SK-MEL-2). Compounds 4 a, 4 b, 4 c, 4 f, 4 i, 4 j and 4 m were found to be more active antiproliferative agent against A549 and SK-MEL-2 cells with IC50 value 0.22 to 1.25 μM. Molecular docking study related to binding affinity and binding mode analysis showed that synthesized compounds had potential to inhibit human Topoisomerase IIa enzyme system. Flow cytometric study showed some of these derivatives also induced cell apoptosis and arrest cell cycle at G1 and at G2/M phase. Overall, this study provides future perspective of lead candidate for the future anticancer drug discovery initiatives.

}, issn = {23656549}, doi = {10.1002/slct.201800798}, author = {Deshmukh, Satish U.}, editor = {Kharat, Kiran R.} } @article {45370, title = {Synthesis of quinolinyl based pincer copper (II) complexes: an efficient catalyst system for Kumada coupling of alkyl chlorides and bromides with alkyl Grignard reagents }, journal = {Dalton Transactions }, volume = {47}, year = {2018}, month = {DEC}, pages = {16747-16754}, type = {Article }, abstract = {

Quinolinamide-based pincer copper(ii) complexes, (N),(N),(N)-{C9H6N-(-N)-C(O)CH2NEt2}CuX [((NNN2Et)-N-Q)CuX (X = Cl, 2; X = Br, 3; X = OAc, 4)], were synthesized by the reaction of ligand ((NNN2Et)-N-Q)-H (1) with CuX2 (X = Cl, Br or OAc) in the presence of Et3N. The reaction of ((NNN2Et)-N-Q)-H with CuX (X = Cl, Br or OAc) also afforded the Cu(ii) complexes 2, 3 and 4, respectively, instead of the expected Cu(i) pincer complexes. The formation of Cu(ii) complexes from Cu(i) precursors most likely occurred via the disproportionation reaction of Cu(i) into Cu(0) and Cu(ii). A cationic complex [((NNN2Et)-N-Q)Cu(CH3CN)]OTf (5) was synthesized by the treatment of neutral complex 2 with AgOTf. On the other hand, the reaction of ((NNN2Et)-N-Q)-H (1) with [Cu(MeCN)(4)]ClO4 produced cationic Cu(i) complex, [((NN)-N-Q(H)N-2(Et))Cu(CH3CN)]ClO4 (6), in good yield. All complexes 2-5 were characterized by elemental analysis and HRMS measurements. Furthermore, the molecular structures of 2, 3 and 4 were elucidated by X-ray crystallography. Complex 4 crystallizes in a dimeric and catemeric pattern. The cationic complex 5 was found to be an efficient catalyst for the Kumada coupling reaction of diverse nonactivated alkyl chlorides and bromides with alkyl magnesium chloride under mild reaction conditions.

}, issn = {1477-9226}, author = {Pandiri, Hanumanprasad and Gonnade, Rajesh G. and Punji, Benudhar} } @article {45496, title = {Synthetic control on structure/dimensionality and photophysical properties of low dimensional organic lead bromide perovskite}, journal = { Inorganic chemistry}, volume = {57}, year = {2018}, month = {OCT }, pages = {13443-13452}, type = {Article }, abstract = {Low dimensional lead halide perovskites have attracted huge research interest due to their structural diversity and remarkable photophysical properties. The ability to controllably change dimensionality/structure of perovskites remains highly challenging. Here, we report synthetic control on structure/dimensionality of ethylenediammonium (ED) lead bromide perovskite from a two dimensionally networked (2DN) sheet to a one dimensionally networked (1DN) chain structure. Intercalation of solvent molecules into the perovskite plays a crucial role in directing the final dimensionality/structure. This change in dimensionality reflects strongly in the observed differences in photophysical properties. Upon UV excitation, the 1DN structure emits white light due to easily formed {\textquotedblleft}self-trapped{\textquotedblright} excitons. 2DN perovskites show band edge blue emission (\~{}410 nm). Interestingly, Mn2+ incorporated 2DN perovskites show a highly red-shifted Mn2+ emission peak at \~{}670 nm. Such a long wavelength Mn2+ emission peak is unprecedented in the perovskite family. This report highlights the synthetic ability to control the dimensionality/structure of perovskite and consequently its photophysical properties.}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.8b02042}, author = {Haris, Muhammed P. U. and Bakthavatsalam, Rangarajan and Shaikh, Samir and Kore, Bhushan P. and Moghe, Dhanashree and Gonnade, Rajesh G. and Sarma, D. D. and Kabra, Dinesh and Kundu, Janardan} } @article {44495, title = {Synthetic studies towards Pseudoxylallemycin B, an antibiotic active against gram-negative bacteria: total synthesis of 3-epi-Pseudoxylallemycin B}, journal = {Tetrahedron Letters}, year = {2018}, type = {Journal Article}, abstract = {In an attempt towards the total synthesis of Pseudoxylallemycin B, a homo dimeric, N-methylated macrocyclic tetrapeptidic natural product, synthesis of its epimer at position 3 (d-Tyr instead of l-Tyr) is described here. During the course of synthesis we came across a striking yet unusual observation of complete epimerization which led to the formation of 3-epi-Pseudoxylallemycin B.}, keywords = {Cyclic tetrapeptides, Epimerization, Gram-negative bacteria, Macrolactamization, Propyl phosphonic anhydride (T3P)}, doi = {10.1016/j.tetlet.2018.06.028}, author = {Gunjal, Vidya B.}, editor = {Reddy, Shrinivasa D.} } @article {45379, title = { Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals}, journal = {IUCrJ}, volume = {5}, year = {2018}, month = {NOV}, pages = {816-822}, type = {Article}, abstract = {The single-crystal X-ray structure of a 6-component organic-salt alloy (hexanary) of naftopidil (1) (an active pharmaceutical ingredient) with benzoic acid (2) and four different hydroxy-substituted benzoic acids, i.e. salicylic acid (3), 2,3-dihydroxybenzoic acid (4), 2,4-dihydroxybenzoic acid (5) and 2,6-dihydroxybenzoic acid (6), is reported. The hexanary assembly originates from the observation that the binary salts of naftopidil with the above acids are isostructural. In addition to the 6-component solid, we also describe five 5-component, ten 4-component, and ten 3-component organic-salt alloys of naftopidil (1) with carboxylic acids (2)-(6). These alloys were obtained from different combinations of the acids with the drug. The synthetic design of the multicomponent organic alloys is based on the rationale of geometrical factors (shape and size) and chemical interactions (hydrogen bonds). The common supramolecular synthon in all these crystal structures was the cyclic N+ - H center dot center dot center dot O- and O-H center dot center dot center dot O hydrogen-bonded motif of R-2(2) (9) graph set between the 2-hydroxyammonium group of naftopidil and the carboxylate anion. This ionic synthon is strong and robust, directing the isostructural assembly of naftopidil with up to five different carboxylic acids in the crystal structure together with the lower-level multicomponent adducts. Solution crystallization by slow evaporation provided the multicomponent organic salts and alloys which were characterized by a combination of single-crystal X-ray diffraction, powder X-ray diffraction, NMR and differential scanning calorimetry techniques.}, issn = { 2052-2525}, doi = { 10.1107/S2052252518014057}, author = {Dandela, Rambabu and Tothadi, Srinu and Marelli, Udaya Kiran and Nangia, Ashwini} } @article {46425, title = {Saturated N-heterocyclic carbene based thiele{\textquoteright}s hydrocarbon with a tetrafluorophenylene linker}, journal = {Chemistry-A European Journal}, year = {2019}, month = {NOV}, type = {Article; Early Access}, abstract = {

The synthesis of a SIPr [1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene] derived Kekule diradicaloid with a tetrafluorophenylene spacer (3) has been described. Two synthetic routes have been reported to access 3. The cleavage of C-F bond of C6F6 by SIPr in the presence of BF3 led to double C-F activated compound with two tetrafluoro borate counter anions (2), which upon reduction by lithium metal afforded 3. Alternatively, 3 can be directly accessed in one step by reacting SIPr with C6F6 in presence of Mg metal. Compounds 2 and 3 were well characterized spectroscopically and by single-crystal X-ray diffraction studies. Experimental and computational studies support the cumulenic closed-shell singlet state of 3 with a singlet-triplet energy gap (Delta ES-T) of 23.7 kcal mol(-1).

}, keywords = {C-F activation, Density functional calculations, fluorine, Kekule diradicaloids, saturated NHC}, issn = {0947-6539}, doi = {10.1002/chem.201904421}, author = {Kundu, Gargi and De, Sriman and Tothadi, Srinu and Das, Abhishek and Koley, Debasis and Sen, Sakya S.} } @article {45529, title = {Scalable microwave-assisted continuous flow synthesis of CuO nanoparticles and their thermal conductivity applications as nanofluids}, journal = {Advanced Powder Technology}, volume = {30}, year = {2019}, month = {JAN}, pages = {13-17}, type = {Article}, abstract = {

We have demonstrated the novel and scalable synthesis of CuO nanoparticles by an integration of microwave and flow synthesis. The shape and size of CuO nanoparticles were tuned by changing the concentration of copper precursor. The production rate of CuO nanoparticles was found to be 5 g/h with 70\% conversion of copper acetate into the CuO nanoparticles. The thermal conductivity of CuO nanofluid prepared in ethylene glycol showed linear enhancement with increase in the volume content of CuO nanoparticles produced in batch and flow reactors. (C) 2018 The Society of Powder Technology Japan. Published by Elsevier B.V. and The Society of Powder Technology Japan. All rights reserved.

}, keywords = {Flow synthesis, Microwave, Nanofluids, Nanoparticles, scale-up, Thermal conductivity}, issn = {0921-8831}, doi = {10.1016/j.apt.2018.10.001}, author = {Nikam, Arun V. and Dadwal, Arun H.} } @article {45550, title = {Scalable synthesis of both enantiomers of vigabatrin, an antiepileptic drug}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {FEB}, pages = {1257{\textendash}1260}, type = {Article}, abstract = {

Vigabatrin is a potent inhibitor of gamma-aminobutyric acid (GABA) catabolism used for the treatment of epilepsy. Here we have synthesized both enantiomers of the drug vigabatrin in five steps from known intermediates using Wittig olefination and pyrolytic elimination as key steps. The target compounds are synthesized in gram scale amounts with \>98 \% enantiopurity.

}, doi = {10.1002/ejoc.201801617}, author = {Jachak, G.R. and Reddy, D.S.} } @article {46163, title = {Scalable synthesis of cladosporin}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {MAR }, pages = {831-833}, type = {Article}, abstract = {

Cladosporin, a secondary metabolite isolated from fungal sources like Cladosporium cladosporioides and Aspergillus flavus was found to exhibit selective nano-molar activity against malarial parasite Plasmodium falciparum by inhibiting parasitic protein biosynthesis. In addition, this natural product has a broad range of bioactivities including, antiparasitic, antifungal, antibacterial as well as plant growth inhibition. However, it has limited availability from the natural sources for further development. Herein, we report a modified and improved synthetic route which led us to produce this potent natural product in a gram scale. Conversion of the undesired diastereomer to desired one via Mitsunobu inversion of secondary alcohol and carbon monoxide insertion reaction towards the construction of isocoumarin unit are the key features of the present synthesis. (C) 2019 Elsevier Ltd. All rights reserved.

}, keywords = {Anti-malarials, Cladosporin, Mitsunobu, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2019.02.012}, author = {Das, Pronay and Mankad, Yash and Reddy, D. Srinivasa} } @article {46079, title = {Scope and mechanistic aspect of nickel-catalyzed alkenylation of benzothiazoles and related azoles with styryl bromides}, journal = {Organometallics}, volume = {38}, year = {2019}, month = {JUN }, pages = {2422-2430}, type = {Article}, abstract = {

Alkenylation of benzothiazoles and related azoles with alkenyl bromides is achieved employing the well-defined and air-stable nickel complexes, (bpy)NiBr2 and [Ni(bpy)(3)] [NiBr4], as catalysts. Numerous electronically distinct alkenyl bromides efficiently coupled with substituted benzothiazoles, oxazoles, and benzimidazoles under the catalytic conditions to afford 2-alkenylated azoles. An extensive mechanistic study of the alkenylation of benzothiazole using (bpy)NiBr2 highlights a single-electron transfer process for the reaction involving the two-step one-electron oxidative addition of alkenyl bromide. The substrate benzothiazole plays a significant and diverse role in the reaction, and C-H bond cleavage is reversible in nature. Detailed kinetic analysis and control reactivity studies are indicative of a Ni(I)/Ni(III) pathway for the alkenylation comprising the rate-influencing reductive elimination step.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.9b00060}, author = {Patel, Ulhas N. and Jagtap, Rahul A. and Punji, Benudhar} } @article {46174, title = {Secondary structure of the internal transcribed rDNA (ITS) regions of cosmopolites sordidus (Germar) and odoiporus longicollis (Olivier): a first report in family Curculionidae}, journal = {International Journal of Tropical Insect Science}, volume = {39}, year = {2019}, month = {MAR}, pages = {53-61}, type = {Article}, abstract = {

In the present work the consensus secondary structure of the internal transcribed rDNA spacers ITS1 and ITS2 of two weevils i.e. Cosmopolites sordidus (Germar) and Odoiporus longicollis (Olivier) has been described. The secondary structures of the ITS1 region of C.sordidus and O.longicollis have ten and five helices respectively, emerging from a central core. Two and five helices emerge from a central core in the ITS2 secondary structures of C.sordidus and O.longicollis respectively, and do not conform to the {\textquoteleft}paneukaryotic{\textquoteright} four domain model. The ITS2 sequences of these two weevils share three regions with maximum sequence identity. Of these, two are present at the 5{\textquoteright} and 3{\textquoteright} end and share structural similarity, suggesting their possible role in the processing of the rRNA. This is the first report of the secondary structure of the ITS region in family Curculionidae which can serve as a valuable resource for homology modelling and phylogenetic studies.

}, keywords = {Cosmopolites sordidus (Germar), Curculionidae, ITS1, ITS2, Odoiporus longicollis (Olivier), Secondary structure}, issn = {1742-7584}, doi = {10.1007/s42690-019-00016-7}, author = {Kumar, Lalitha Sunil} } @article {46416, title = {Selective hydrogenation of 5-HMF to 2,5-DMF over a magnetically recoverable non-noble metal catalyst}, journal = {Green Chemistry}, volume = {21}, year = {2019}, month = {DEC}, pages = {6390-6406}, type = {Article}, abstract = {

A non-noble bimetallic catalyst Cu-Fe (1 : 2) was magnetically recoverable, highly selective and efficient for 5-(hydroxymethyl) furfural (5-HMF) hydrogenation to 2,5-dimethyl furan (DMF). The structure-activity correlation was established by characterising the prepared catalyst by XRD, XPS, TEM, ESEM, BET surface area, N-2-adsorption, NH3-TPD, pyridine-IR and H-2-TPR measurements. The high catalytic efficiency was attributed to the oxophilic nature and Lewis acidity of Fe, whereas the selectivity towards DMF was attributed to the Bronsted acidity of CuO and its affinity towards the C-O bond which was further confirmed by NH3-TPD and Py-IR analyses. XPS and XRD revealed the presence of Cu/CuFe2O4 species which catalyzed the hydrogenolysis pathway. TEM and SEM images evidenced the presence of a Cu-Fe nanomorph in which Cu/CuFe2O4 was present. The size of the Cu-Fe nanomorph was found to be between 15.4-17.6 nm. Under the optimised reaction conditions, the highest conversion of 97\% and selectivity of 93\% were achieved.

}, issn = {1463-9262}, doi = {10.1039/c9gc03091c}, author = {Solanki, Bhanupratap Singh and Rode, V. Chandrashekhar} } @article {45607, title = {Selective hydrogenolysis of 5-(hydroxymethyl)furfural over Pd/C catalyst to 2,5-dimethylfuran}, journal = {Journal of Saudi Chemical Society}, volume = {23}, year = {2019}, month = {MAY}, pages = {439-451}, type = {Article}, abstract = {

everal metal supported catalysts were prepared and evaluated for 5-(hydroxymethyl)furfural (5-HMF) hydrogenolysis to 2,5-dimethylfuran (2,5-DMF) which is a renewable potential fuel additive. Among the prepared catalysts, 3\%Pd/C showed excellent performance in terms of complete conversion of 5-HMF along with the highest selectivity of 99\% to 2,5-DMF. Detailed physico-chemical characterisation was done in order to understand structure-activity correlation. Uniformly dispersed Pd nanoparticles on activated carbon provided the adsorption surface to enhance the hydrogenation of 5-HMF. Reaction was well optimised and established by extensive study of different reaction parameters like temperature, pressure, reaction time, stirring effect, substrate loading and metal loading.

}, keywords = {Biomass, Fuel additive, heterogeneous catalysis, Hydrogenolysis, Palladium}, issn = {1319-6103}, doi = {10.1016/j.jscs.2018.08.009}, author = {Solanki, B. S. and Rode, C. V.} } @article {46207, title = {Selective synthesis of dimethyl carbonate via transesterification of propylene carbonate with methanol catalyzed by bifunctional Li-Al Nano-composite}, journal = {Chemistryselect}, volume = {4}, year = {2019}, month = {AUG}, pages = {8574-8583}, type = {Article}, abstract = {

A series of binary mixed metal oxides (MMOs) were synthesized by combination of Mn+/Al3+ (Mn+= Li, Mg, Co, Ni, Zn) via co-precipitation method and screened for transesterification of propylene carbonate (PC) with methanol. The aim of this study was to understand the role of acid-base properties of MMOs on the activity and selectivity towards dimethyl carbonate (DMC) synthesis. The MMOs were characterized in detail by XRD, BET, TEM, NH3 and CO2-TPD techniques. Catalysts synthesized by various combination of Mn+/Al3+ showed different textural and surface properties and the strength of acid-base sites were also found to be significantly altered. These changes in physicochemical properties significantly affected the PC conversion and selectivity to DMC. Li+ incorporated in Al3+ showed the formation of octahedral alpha-LiAlO2 phase having more amounts of active sites (O2-) present on the edges and corner of the structure. This resulted in easy accessibility of active sites and higher activity compared to other catalysts screened. Furthermore the catalyst retained high activity and selectivity for six consecutive recycle experiments; which is highly desirable for large-scale application.

}, doi = { 10.1002/slct.201901621}, author = {Nivangune, Nayana and Kelkar, Ashutosh} } @article {46283, title = {Selective synthesis of secondary amines from nitriles by a user-friendly cobalt catalyst}, journal = {Advanced Synthesis \& Catalysis}, volume = {361}, year = {2019}, month = {SEP}, pages = {3930-3936}, type = {Article}, abstract = {

Selective hydrogenation/reductive amination of nitriles to secondary amines catalyzed by an inexpensive and user-friendly cobalt complex, (Xantphos)CoCl2, is reported. The use of (Xantphos)CoCl2 and ammonia borane (NH3-BH3) combination affords the selective reduction of nitriles to symmetrical secondary amines, whereas the employment of (Xantphos)CoCl2 and dimethylamine borane (Me2NH-BH3) along with external amines produce unsymmetrical secondary amines and tertiary amines. The general applicability of this methodology is demonstrated by the synthesis of 43 symmetrical and unsymmetrical secondary and tertiary amines bearing diverse functionalities.

}, doi = {10.1002/adsc.201900586}, author = {Sharma, Dipesh M. and Punji, Benudhar} } @article {46184, title = {Selective targeting of integrin alpha v beta 8 by a highly active cyclic peptide}, journal = {Journal of Medicinal Chemistry}, volume = {62}, year = {2019}, month = {FEB }, pages = {2024-2037}, type = {Article}, abstract = {

Integrins play important roles in physiological and pathophysiological processes. Among the RGD-recognizing integrin subtypes, the alpha v beta 8 receptor is emerging as an attractive target because of its involvement in various illnesses, such as autoimmune diseases, viral infections, and cancer. However, its functions have, so far, not been investigated in living subjects mainly because of the lack of a selective alpha v beta 8 ligand. Here, we report the design and potential medical applications of a cyclic octapeptide as the first highly selective small-molecule ligand for alpha v beta 8. Remarkably, this compound displays low nanomolar alpha v beta 8 binding affinity and a strong discriminating power of at least 2 orders of magnitude versus other RGD-recognizing integrins. Peptide functionalization with fluorescent or radioactive labels enables the selective imaging of alpha v beta 8-positive cells and tissues. This new probe will pave the way for detailed characterization of the distinct (patho)physiological role of this relatively unexplored integrin, providing a basis to fully exploit the potential of alpha v beta 8 as a target for molecular diagnostics and personalized therapy regimens.

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.8b01588}, author = {Reichart, Florian and Maltsev, Oleg V. and Kapp, Tobias G. and Raeder, Andreas F. B. and Weinmueller, Michael and Marelli, Udaya Kiran and Notni, Johannes and Wurzer, Alexander and Beck, Roswitha and Wester, Hans Juergen and Steiger, Katja and Di Maro, Salvatore and Di Leva, Francesco Saverio and Marinelli, Luciana and Nieberler, Markus and Reuning, Ute and Schwaiger, Markus and Kessler, Horst} } @article {46077, title = {Self-assemblies of nucleolipid supramolecular synthons show unique self-sorting and cooperative assembling process}, journal = {Nanoscale}, volume = {11}, year = {2019}, month = {JUN }, pages = {11956-11966}, type = {Article}, abstract = {

The inherent control of the self-sorting and co-assembling process that has evolved in multi-component biological systems is not easy to emulate in vitro using synthetic supramolecular synthons. Here, using the basic component of nucleic acids and lipids, we describe a simple platform to build hierarchical assemblies of two component systems, which show an interesting self-sorting and co-assembling behavior. The assembling systems are made of a combination of amphiphilic purine and pyrimidine ribonucleoside-fatty acid conjugates (nucleolipids), which were prepared by coupling fatty acid acyl chains of different lengths at the 2 {\textquoteleft}-O- and 3 {\textquoteleft}-O-positions of the ribose sugar. Individually, the purine and pyrimidine nucleolipids adopt a distinct morphology, which either supports or does not support the gelation process. Interestingly, due to the subtle difference in the order of formation and stability of individual assemblies, different mixtures of supramolecular synthons and complementary ribonucleosides exhibit a cooperative and disruptive self-sorting and co-assembling behavior. A systematic morphological analysis combined with single crystal X-ray crystallography, powder X-ray diffraction (PXRD), NMR, CD, rheological and 3D X-ray microtomography studies provided insights into the mechanism of the self-sorting and co-assembling process. Taken together, this approach has enabled the construction of assemblies with unique higher ordered architectures and gels with remarkably enhanced mechanical strength that cannot be derived from the respective single component systems.

}, issn = {2040-3364}, doi = {10.1039/c9nr01863h}, author = {Nuthanakanti, Ashok and Walunj, Manisha B. and Torris, Arun and Badiger, Manohar V. and Srivatsan, Seergazhi G.} } @article {47155, title = {Self-assembly of Di-guanine peptide nucleic acid amphiphiles into fractal patterns}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {DEC }, pages = {13525-13532}, type = {Article}, abstract = {

Peptide nucleic acids (PNAs) amphiphiles have been reported to assemble into different nanostructures; however, there is immense untapped potential to control their supramolecular assemblies by altering their lipid chain. Here, we functionalized di-guanine PNA with various hydrophobic appendages, namely dodecyl, p-dodecylbenzoyl and pentadecyl phenol groups, to investigate the effect of aromatic linkers, long alkyl and alkoxyl substituents on hierarchical self-assembly of di-guanine PNA. Systematic electron microscopy and atomic force microscopy studies revealed that while all three derivatives of di-guanine-PNA formed nanospheres, only nanospheres of dodecylamide and pentadecyl phenol derivatives matured into nanorods, these later formed higher order fractal assemblies. Furthermore, we observed that inclusion of a positively charged lysine at the C-terminus prevented fractal assembly, possibly due to electrostatic repulsion between the head groups. Thus, the findings of the present work might guide rational design of PNA amphiphiles to obtain specific self-assembled morphology.

}, keywords = {Fractal pattern, Guanine, pentadecylphenol, Peptide nucleic acid, Self-assembly}, issn = {2365-6549}, doi = {10.1002/slct.201902677}, author = {Abraham, Jancy N. and Pawar, Prabhakar and Kootteri, Dilna K.} } @article {46442, title = {Semirational design and engineering of grapevine glucosyltransferases for enhanced activity and modified product selectivity}, journal = {Glycobiology}, volume = {29}, year = {2019}, month = {NOV}, pages = {765-775}, type = {Article}, abstract = {

Uridine diphosphate-dependent glycosyltransferases (UGTs) catalyze the transfer of a diversity of sugars to several acceptor molecules and often exhibit distinct substrate specificity. Modulation of glycosyltransferases for increased catalytic activity and altered substrate or product specificity are the key manipulations for the biotechnological use of glycosyltransferases in various biosynthetic processes. Here, we have engineered the binding pocket of three previously characterized Vitis vinifera glycosyltransferases, UGT88F12, UGT72B27 and UGT92G6, by structure-guided in silico mutagenesis to facilitate the interactions of active site residues with flavonol glucosides and thus modify substrate specificity and activity. Site-directed mutagenesis at selected sites, followed with liquid chromatography-mass spectrometry based activity assays, exhibited that mutant UGTs were altered in product selectivity and activity as compared to the wild-type enzymes. Mutant UGTs produced larger amounts of flavonol di-monosaccharide glucosides, which imply that the mutations led to structural changes that increased the volume of the binding pocket to accommodate a larger substrate and to release larger products at ease. Mutants showed increased activity and modified product specificity. Thus, structure-based systematic mutations of the amino acid residues in the binding pocket can be explored for the generation of engineered UGTs for diverse biotechnological applications.

}, keywords = {flavonol, Glycosyltransferase, in silico analysis, Mutagenesis, selectivity}, issn = {0959-6658}, doi = {10.1093/glycob/cwz056}, author = {Joshi, Rakesh and Trinkl, Johanna and Haugeneder, Annika and Haertl, Katja and Franz-Oberdorf, Katrin and Giri, Ashok and Hoffmann, Thomas and Schwab, Wilfried} } @article {45511, title = {On the sensitivity of alginate rheology to composition}, journal = {Soft Matter}, volume = {15}, year = {2019}, month = {JAN }, pages = {159-165}, type = {Article}, abstract = {

The linear response of alginate-phenyl boronic acid (Alg-PBA) esters shows a universal, composition-independent viscoelastic fluid-like behaviour. Reversible association of alginates governs their rheology at all compositions (viz. at all alginate concentrations and solution pH). However, their high strain behaviour is very sensitive to composition. Tuning composition affords liquids that neck to form filaments capable of being drawn to large elongations without failure. We interpret our data by invoking strain-dependent association and dissociation rates for the alginates. High association rates at high strain result in materials with viscoelastic liquid like behaviour.

}, issn = {1744-683X}, doi = {10.1039/c8sm02093k}, author = {Suresh, Karthika and Haering, Marleen and Kumaraswamy, Guruswamy and Diaz Diaz, David} } @article {46422, title = {Separation of nitroaromatics from wastewater by using supported ionic liquid membranes}, journal = {Journal of Water Process Engineering}, volume = {32}, year = {2019}, month = {DEC}, pages = {100925}, type = {Article}, abstract = {

Nitroaromatics have been released into wastewater during its production and application, thus, contaminating the ecosystem. The stringent discharge limits of industrial effluents have led to the development of sustainable technologies for removal of nitroaromatics from wastewater. In the present investigation, separation of nitroaromatic compounds such as TNT, TNP and Tetryl from model wastewater was investigated by using supported ionic liquid membrane (SILM) process. Various aliquat 336 based ionic liquids (ILs) were synthesised and characterized, and immobilized in PTFE and PVDF supports for the preparation of SILMs. The key parameters such as type of IL and striping phase, feed phase pH, selectivity for SILM, extraction kinetics and reuse of SILM were studied, in detail. The size of IL-anion plays an important role in removal process. The SILM was found to be selective for TNP over other nitroaromatics. Maximum separation of TNP (\< 95\%) was achieved with IL, [A336][SCN] within 12 h. Selectivity and reuse of the membrane indicate the potential of SILM technology as a sustainable chemical process for the treatment of nitroaromatics contaminated wastewater.

}, keywords = {Ionic liquid, Membrane, Nitroaromatics, Separation, wastewater}, issn = {2214-7144}, doi = {10.1016/j.jwpe.2019.100925}, author = {Bhosale, Vikas K. and Chana, Harpreet K. and Kamble, Sanjay P. and Kulkarni, Prashant S.} } @article {46094, title = {Separator membranes for lithium-sulfur batteries: design principles, structure, and performance}, journal = {Energy Technology}, volume = {7}, year = {2019}, month = {JUN}, pages = {1800819}, type = {Article}, abstract = {

Improvement in electrical energy storage systems is one of the most recent research topics of great academic and industrial interest. Lithium-sulfur (Li-S) battery systems offer a theoretical energy density an order of magnitude larger than the popular Li-ion batteries. The principle of working, inherent challenges in utilizing this system for commercial applications, and the various approaches taken to address these challenges are herein discussed in detail. The polysulfide shuttle effect is a major concern that deteriorates electrochemical performance in this system. In the recent past, electrodes have been intricately engineered to tackle this problem. However, more recently, the focus has shifted to the critical role of the separator. Modifying conventional separators or fabricating novel structures to enhance the cell performance appears to be a more feasible option. Some design principles that are critical to the functioning of a separator in Li-S batteries, namely physisorption, chemisorption, and electrostatic repulsion, are discussed. Many recent papers proposed novel cell configurations with specifically designed functional separators. These reports are classified according to three design principles, analyzed critically, and compared with a view to assess their relative merits and efficacy. Some thoughts on the future directions in the development of an efficient separator are described.

}, keywords = {lithium-sulfur batteries, polysulfides, rechargeable batteries, separators, shuttle effect}, issn = {2194-4288}, doi = {10.1002/ente.201800819}, author = {Gupta, Aritrajit and Sivaram, Swaminathan} } @article {46432, title = {Silk fibroin-sodium dodecyl sulfate gelation: molecular, structural, and rheological insights}, journal = {Langmuir}, volume = {35}, year = {2019}, month = {NOV}, pages = {14870-14878}, type = {Article}, abstract = {

A gelling agent is necessary to accelerate sol to gel transition in an aqueous solution of silk fibroin (SF), which otherwise takes several days to complete. In this paper, we investigate the mechanism of gelation of Bornbyx mori SF by a model anionic surfactant, sodium dodecyl sulfate (SOS). Even though interactions between SDS and proteins have been extensively investigated, most of these studies have focused on globular proteins, which undergo denaturation. The interaction with a fibrous protein such as SF is different and results in an altered secondary structure leading to gelation. In this work, the concentration-dependent gelation process of the SF-SDS system is examined using rheology, SANS, FTIR, and NMR. We observed preferential binding of SDS to specific regions on the SF chain, which aids structural changes favoring beta-sheet formation. We propose a mechanism for the accelerated sol-gel transition in the SF-SDS system.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.9b02402}, author = {Hirlekar, Swarali and Ray, Debes and Aswal, Vinod K. and Prabhune, Asmita and Nisal, Anuya and Ravindranathan, Sapna} } @article {46159, title = {Silylene induced cooperative B-H bond activation and unprecedented aldehyde C-H bond splitting with amidinate ring expansion}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {MAR }, pages = {3536-3539}, type = {Article}, abstract = {

The addition of HBpin to PhC(NtBu)(2)SiN(SiMe3)(2) (1) results in the cleavage of the B-H bond in a cooperative fashion across the Si and amidinate-C sites. The reaction of 1 with benzaldehyde led to C-H bond activation with amidinate ring expansion leading to a five-membered heterocycle. In case of 4-fluorobenzaldehyde, a C-C bond coupling takes place leading to a dioxasilolane derivative as the major product.

}, issn = {1359-7345}, doi = {10.1039/c9cc00296k}, author = {Swamy, V. S. V. S. N. and Raj, K. Vipin and Vanka, Kumar and Sen, Sakya S. and Roesky, Herbert W.} } @article {46089, title = {Size-controlled cobalt ferrite nanocrystals: magnetically separable reusable nanocatalysts for selective oxidation of styrene}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {JUN }, pages = {6524-6531}, type = {Article}, abstract = {

Superparamagnetic cobalt ferrite (CFO) nanocrystals (NCs) with sizes similar to 6 nm and similar to 4 nm were synthesized using a facile solvothermal method using fatty acids, lauric acid and stearic acid, as the capping agents. The synthesized nanocrystals were well characterized by XRD, FT-IR, XPS, SEM and TEM. The formation mechanism was explored and it was shown that the fatty acid was actually chemisorbed as a carboxylate onto the surface of CFO NCs. The experimental results specify that the size and size distribution of the CFO NCs were highly dependent on the length of fatty acid hydrophobic chain. Corresponding changes of the magnetic properties were investigated by measuring magnetization as a function of field and temperature, which suggest that the CFO NCs were superparamagnetic in nature. The catalytic properties for the oxidation of styrene in organic medium were examined by using the synthesized CFO NCs with sizes similar to 6 nm and similar to 4 nm. The synthesized CFO NCs, well dispersible in organic media, were demonstrated to be highly catalytically active, reached 100\% conversion of styrene in 12 h with similar to 77\% and similar to 82\% selectivity for styrene oxide respectively. The magnetic CFO nanocatalysts were easily separated and recovered from the reaction medium by an external magnet, and reused for several cycles without losing catalytic selectivity for styrene oxide.

}, keywords = {Cobalt ferrite, epoxidation, Fatty acids, magnetic properties, nanocrystals}, issn = {2365-6549}, doi = {10.1002/slct.201900714}, author = {Jeyavani, Vijayakrishnan and Pawar, Sayali and Dadwal, Arun and Joy, Pattayil Alias and Mukherjee, Shatabdi Porel} } @article {46196, title = {Slow motion protein dance visualized using red-edge excitation shift of a buried fluorophore}, journal = {Journal of Physical Chemistry B}, volume = {123}, year = {2019}, month = {FEB}, pages = {1256-1264}, type = {Article}, abstract = {

It has been extremely challenging to detect protein structures with a dynamic core, such as dry molten globules, that remain in equilibrium with the tightly packed native (N) state and that are important for a myriad of entropy-driven protein functions. Here, we detect the higher entropy conformations of a human serum protein, using red-edge excitation shift experiments. We covalently introduced a fluorophore inside the protein core and observed that in a subset of native population, the side chains of the polar and buried residues have different spatial arrangements than the mean population and that they solvate the fluorophore on a timescale much slower than the nanosecond timescale of fluorescence. Our results provide direct evidence for the dense fluidity of protein core and show that alternate side-chain packing arrangements exist in the core that might be important for multiple binding functions of this protein.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.8b11151}, author = {Mishra, Prajna and Jha, Santosh Kumar} } @article {46097, title = {Solvothermal growth of PbBi2Se4 nano-flowers: a material for humidity sensor and photodetector applications}, journal = {Physica Status Solidi A-Applications and Materials Science}, volume = {216}, year = {2019}, month = {JUN}, pages = {1900065}, type = {Article}, abstract = {

In the present work, lead bismuth selenide (PbBi2Se4) nano-flowers are synthesized by using a simple solvothermal method. Humidity sensor and photodetector based on PbBi2Se4 nano-flowers are fabricated on indium tin oxide (ITO) substrates and their sensing properties are investigated. Formation of PbBi2Se4 is confirmed by XRD, EDS, and XPS whereas formation of nano-flowers is confirmed by SEM and TEM analysis. XRD analysis reveals the hexagonal crystal structure of PbBi2Se4 phase with a = b = 4.22 angstrom, and c= 17.42 angstrom. The surface morphology of PbBi2Se4 clearly shows the formation of well-organized flower-like nanostructures which closely resembles the shape of Dahlia. The elemental mapping of chemical constituents obtained from SEM-EDS analysis shows uniform distribution of chemical constituents for the Pb, Bi, and Se in PbBi2Se4 nano-flowers. The PbBi2Se4 nano-flowers based humidity sensor has a typical response time of approximate to 65s and recovery time of approximate to 75 s. In case of PbBi2Se4 nano-flowers-based photodetector, the response and recovery time are observed approximate to 121 and approximate to 123 s, respectively, under visible light illumination with photoresponsivity (5 x 10(-6)), photosensitivity (2.16\%), and quantum efficiency (1.5 x 10(4)). The obtained results demonstrate the potential applications of solvothermally grown PbBi2Se4 nano-flowers-based devices for humidity sensors and photodetectors. The ease of the present work is to develop novel material to obtain device quality humidity sensors and photodetectors.

}, keywords = {humidity sensor, PbBi2Se4, photodetector, XPS, XRD}, issn = {1862-6300}, doi = {10.1002/pssa.201900065}, author = {Aher, Rahul and Bhorde, Ajinkya and Nair, Shruthi and Borate, Haribhau and Pandharkar, Subhash and Naik, Dhirsing and Vairale, Priti and Karpe, Smita and Late, Dattatray and Prasad, Mohit and Jadkar, Sandesh} } @article {46339, title = {Special issue: membrane and receptor dynamics}, journal = {Journal of Membrane Biology}, volume = {252}, year = {2019}, month = {OCT}, pages = {207-211}, type = {Editorial Material}, issn = {0022-2631}, doi = {10.1007/s00232-019-00096-z, Early Access Date = OCT 2019}, author = {Prakash, Shikha and Sengupta, Durba} } @article {45614, title = {Squaraine-linked metalloporphyrin two-dimensional polymer photocatalyst for hydrogen and oxygen evolution reactions}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {JAN}, pages = {1627-1630}, type = {Article}, abstract = {Efficient water splitting photocatalysts are an energetically demanding and cost-effective method for generating renewable energy. Significant research has been reported to advance this approach. However, the use of organic photocatalysts and the presence of residual catalysts trapped in the porous frameworks present major concerns about the efficiency of this strategy. Herein, we report the photocatalytic evolution of H2 and O2 by a multi-hydroxyl group-decorated metalloporphyrin-based two-dimensional catalyst developed via metal catalyst-free synthetic route. Though metalloporphyrins have long been used for catalytic functions, a heterogeneous photocatalyst delivering both H2 and O2 has not yet been realized. This polymer catalyst design enables the photocatalytic diatomic O2 release, a bottleneck in water splitting, in a facile way. Photocatalytic release of H2 as well as O2 occurs with long-term durability of 20 cycles in 300 days with negligible decrease in efficiency, thus demonstrating the excellent performance of this new catalyst.}, doi = {10.1039/C8CC09132C}, author = {Ranjeesh, K. C. and George, L. and Wakchaure, V. C. and Goudappagouda and Devi, R. N. and Babu, S. S.} } @article {46086, title = {Stabilization of bis(chlorogermyliumylidene)s within bifunctional PNNP ligand frameworks and their reactivity studies}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {JUN }, pages = {7344-7351}, type = {Article}, abstract = {

The diiminodiphosphine (L-im) and diaminodiphosphines (l-NH and l-NMe) with a bifunctional PNNP ligand framework have been employed to host two [GeCl](+) units leading to the formation of bis(chlorogermyliumylidene) 1-3, respectively. The synthetic route involves a 1:2 stoichiometric reaction between the PNNP ligand and GeCl(2)dioxane and the subsequent addition of two equivalents of chloride abstracting agent. Compound 1 is unstable towards coordinating solvents and Lewis bases, resulting in the displacement of the GeCl unit and the formation of rearranged products 4 and 5. However, the diaminodiphosphine coordinated Ge(ii) bis(monocation)s 2 and 3 proved to be stable and revealed their electrophilic behaviour towards the Lewis bases studied.

}, issn = {1477-9226}, doi = {10.1039/c9dt00109c}, author = {Sahoo, Padmini and Raut, Ravindra K. and Maurya, Devesh and Kumar, Vikas and Rani, Pooja and Gonnade, Rajesh G. and Majumdar, Moumita} } @article {46002, title = {Stealth emulsion based on natural rubber latex, core-shell ferrofluid/carbon black in the S and X bands}, journal = {Nanotechnology}, volume = {30}, year = {2019}, month = {AUG }, pages = {315703}, type = {Article}, abstract = {

A lossy dielectric with an appropriate magnetic property is one of the requirements of a stealth material. The thickness of the absorber and the corresponding bandwidth of absorption are also other deciding factors that determine the choice of the material as microwave absorbers. A stable emulsion, which is lossy as well as magnetic, is promising, since it can be coated on surfaces with required thickness in the desired band. A magnetic nanofluidic emulsion serves the purpose. A microwave absorbing emulsion based on natural rubber latex with core-shell magnetic nanoparticles, based on superparamagnetic iron oxide nanoparticles (SPIONs), was developed. The effect of additives like carbon black on the bandwidth of absorption was also studied as a function of weight percentage of carbon black. The complex dielectric permittivity and magnetic permeability were evaluated using a vector network analyser in the S and X bands. Furthermore, these results were modelled using surface impedance equations. These investigations revealed that the incorporation of carbon black enhances the bandwidth of absorption and an emulsion with the required dielectric permittivity and magnetic permeability can be tailored for stealth applications.

}, keywords = {carbon black, core-shell nanoparticles, ferrofluid, microwave absorbing paint, natural rubber latex}, issn = {0957-4484}, doi = {10.1088/1361-6528/ab1194}, author = {Vinayasree, S. and Nair, Ajalesh Balachandran and Mani, Manoj and Archana, V. N. and Joseph, Rani and Mohanan, P. and Joy, P. A. and Anantharaman, M. R.} } @article {45624, title = {Stereoselective aromatic ring hydrogenation over supported rhodium catalysts in supercritical carbon dioxide solvent}, journal = {Chemical Record}, year = {2019}, month = {JAN}, type = {Article}, abstract = {The combination of supported rhodium metal catalysts and supercritical carbon dioxide solvent was effective for the stereoselective ring hydrogenations of aromatic compounds at low temperature. Higher solubility of hydrogen in supercritical carbon dioxide provides higher concentration of hydrogen on the rhodium surface, but lower that of the intermediate on rhodium surface, which suppresses the flipping of surface intermediate, leading to higher catalyst activities and cis selectivities to the corresponding ring-hydrogenated products as compared with those in organic solvents.}, doi = {10.1002/tcr.201800128}, author = {Shirai, M. and Hiyoshi, N. and Rode, C. V.} } @article {46211, title = {Stereoselective construction of deoxy-cruciferane alkaloids by NHC-catalyzed intramolecular annulation of homoenolate with quinazolinone}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {AUG}, pages = {7135-7139}, type = {Article}, abstract = {

Chiral N-heterocyclic carbene (NHC)-catalyzed intramolecular [3 + 2] annulation of enals with an unactivated imine moiety of quinazolinone via formal homoenolate cycloaddition has been demonstrated. It is an excellent approach for stereoselective syntheses of deoxy-cruciferane alkaloids comprising a biologically important pyrroloindoline scaffold. Notably, this is the first report on the NHC-catalyzed asymmetric intramolecular homoenolate annulation with cyclic N-acyl amidine.

}, doi = {10.1039/c9ob01243e}, author = {Ahire, Milind M. and Pol, Mahesh D. and Kavale, Dattatry S and Gonnade, Rajesh G. and Mhaske, Santosh B.} } @article {47497, title = {Stereoselective synthesis of subincanadine alkaloids framework}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {58}, year = {2019}, month = {JUN}, pages = {669-673}, type = {Article}, abstract = {Starting from, N-tosyltryptamine and (S)-acetoxysuccinic anhydride, a facile synthesis of (-)-indolizinoindolone has been demonstrated as a basic structural outline of bioactive subincanadine alkaloids. Regioselective Grignard reaction with (S)-acetoxysuccinimide, stereoselective intramolecular cyclization to form (-)-indolizinoindolone skeleton and TiCl4 induced condensation with acetaldehyde for stereoselective generation of exocyclic carbon carbon double bond are the key features.}, keywords = {(S)-Acetoxysuccinimide, alane reduction, condensation, Grignard reaction, indolizinoindolone, PCC-oxidation, stereoselective Pictet-Spengler cyclization}, issn = {0376-4699}, author = {Kalshetti, Manojkumar G. and Argade, Narshinha P.} } @article {46046, title = {Steroidal thiazolidinone derivatives: design, synthesis and their molecular interaction with human serum albumin}, journal = {Steroids}, volume = {148}, year = {2019}, month = {AUG}, pages = {99-113}, type = {Article}, abstract = {

A series of steroidal thiazolidinone derivatives have been synthesized through one-pot multicomponent reaction involving steroidal ketone, thiosemicarbazide/methyl-thiosemicarbazide and DMAD in presence of AlCl3 as a Lewis acid catalyst. Among all the synthesized steroidal thiazolidinone derivatives, compound 7-9 (ST 7-9) were investigated for their in vitro molecular interaction with human serum albumin. Intrinsic fluorescence spectroscopy, constant wavelength synchronous fluorescence spectroscopy, circular dichroism and UV-visible absorption techniques have been exploited to characterize the binding phenomena in phosphate buffer solution at pH 7.4. The experimental results indicated that ST 7-9 bind to HSA and the intrinsic fluorescence of HSA was quenched through static quenching mechanism. The binding parameters were calculated and the binding constants obtained were 1.44 x 10(5) M-1 for ST 7, 0.84 x 10(5) M-1 for ST 8 and 1.06 x 10(5) M-1 for ST 9. Circular dichroism analysis confirms that the presence of ST 7-9, altered the secondary structure of HSA due to partial unfolding of the polypeptide chain. Furthermore, hemolytic activity assay demonstrated that the synthesized steroidal thiazolidinone derivatives have good compatibility towards human red blood cells. Finally, molecular docking studies revealed that the steroidal thiazolidinones can bind in the hydrophobic cavity of HSA, by hydrophobic and hydrogen bonding interaction. These results provided valuable information about the binding mechanism of ST 7-9 with HSA and play a pivotal role in the development of steroidal heterocycle inspired compounds.

}, keywords = {heterocycles, Human serum albumin, steroids, Thiazolidinone}, issn = {0039-128X}, doi = {10.1016/j.steroids.2019.02.015}, author = {Ansari, Anam and Ali, Abad and Asif, Mohd and Shamsuzzaman} } @article {46267, title = {Structural insight into a membrane intrinsic Acyltransferase from Chlorobium tepidum }, journal = {Current Microbiology}, volume = {76}, year = {2019}, month = {NOV}, pages = {1290-1297}, type = {Article}, abstract = {

The Lipid A component of the outer membrane of Gram-negative bacteria is an integral part of the permeability barrier known as LPS, which actively prevents the uptake of bactericidal compounds. It is clinically very significant, as it is known to elicit a strong immune response in the humans, through the TLR4 complex. The Lipid A species are synthesized through a highly conserved multistep biosynthetic pathway. The final step is catalyzed by acyltransferases of the HtrB/MsbB family, which are members of a superfamily of enzymes, present in all domains of life with important roles to play in various biological processes. The investigation of a putative dual functioning enzyme which can add both laurate and myristate residues to the (Kdo)(2)-lipid IVA (precursor of Lipid A) would give a snapshot into the versatility of substrates that these enzymes catalyze. In this study we have cloned and purified to homogeneity, such a putative dual functional acyltransferase from Chlorobium tepidum, and attempted to study the enzyme in more details in terms of its sequence and structural aspects, as it lacks conserved residues with other enzymes of the same family.

}, doi = {10.1007/s00284-019-01743-3}, author = {Boral, Debjyoti and Vankudoth, Koteswara Rao and Ramasamy, Sureshkumar} } @article {46065, title = {Structural insights into the unique inhibitory mechanism of Kunitz type trypsin inhibitor from Cicer arietinum L. Vol. 37}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {37}, year = {2019}, month = {JUL}, pages = {2669-2677}, type = {Article}, abstract = {

Kunitz-type trypsin inhibitors bind to the active pocket of trypsin causing its inhibition. Plant Kunitz-type inhibitors are thought to be important in defense, especially against insect pests. From sequence analysis of various Kunitz-type inhibitors from plants, we identified CaTI2 from chickpea as a unique variant lacking the functionally important arginine residue corresponding to the soybean trypsin inhibitor (STI) and having a distinct and unique inhibitory loop organization. To further explore the implications of these sequence variations, we obtained the crystal structure of recombinant CaTI2 at 2.8 angstrom resolution. It is evident from the structure that the variations in the inhibitory loop facilitates non-substrate like binding of CaTI2 to trypsin, while the canonical inhibitor STI binds to trypsin in substrate like manner. Our results establish the unique mechanism of trypsin inhibition by CaTI2, which warrant further research into its substrate spectrum.

}, keywords = {Chickpea, crystal structure, inhibitory loop, Kunitz trypsin inhibitor, Trypsin}, issn = {0739-1102}, doi = {10.1080/07391102.2018.1494633}, author = {Bendre, Ameya D. and Suresh, C. G. and Shanmugam, Dhanasekaran and Ramasamy, Sureshkumar} } @article {46151, title = {Structure-property relations in regenerated cellulose fibers: comparison of fibers manufactured using viscose and lyocell processes}, journal = {Cellulose}, volume = {26}, year = {2019}, month = {APR}, pages = {3655-3669}, type = {Article}, abstract = {

Regenerated cellulose fibers are produced using two industrially dominant technologies: the viscose and lyocell processes. Here, we compare commercially available fibers, prepared using the viscose and lyocell processes. Single fibers are subjected to a variety of mechanical deformations to obtain stress-strain, stress relaxation and stress recovery data. These are fitted to a phenomenological model, whose parameters are interpreted in terms of the fiber semicrystalline microstructure. This simple model does not incorporate the complexities of semicrystalline microstructure. Rather, it represents structure in a semicrystalline polymer fiber in terms of an elastic crystalline phase that coexists with a viscoelastic Voigt-like glassy amorphous phase. Lyocell fibers are characterized by higher values of crystalline modulus relative to viscose. Lyocell fibers also have a higher amorphous phase modulus and a wider relaxation spectrum than viscose, suggesting that amorphous and crystalline phases are dispersed in close connectivity in lyocell. Viscose and lyocell fibers exhibit qualitative similarities in their mechanical response. On stretching, there is a transition in the stress-strain curve from a low strain elastic response at a critical value of strain. This critical strain has been incorrectly attributed to yielding of the fiber. We establish that this critical value corresponds to an apparent yield. When subjected to strains higher than this apparent yield point, the fibers develop a memory of the mechanical deformation. This memory decays slowly, logarithmically with time and is lost over about a day as the fiber structure transitions back to the original as spun fiber. Finally, we demonstrate that on wetting the fibers with water, there is an increase in the apparent yield strain for viscose fibers, but not for lyocell. We interpret these results in terms of the semicrystalline microstructure of the fibers.

}, keywords = {mechanical properties, Model, Regenerated cellulose, Yielding}, issn = {0969-0239}, doi = {10.1007/s10570-019-02352-w}, author = {Sharma, Aakash and Nagarkar, Shailesh and Thakre, Shirish and Kumaraswamy, Guruswamy} } @article {45512, title = {Studies on nano composites of SPEEK/ethylene glycol/cellulose nanocrystals as promising proton exchange membranes}, journal = {Electrochimica Acta}, volume = {293}, year = {2019}, month = {JAN }, pages = {260-272}, type = {Article}, abstract = {

The present work deals with fabrication and characterisations of nano-composite membranes composed of sulfonated poly (ether ether ketone) (SPEEK) cross-linked and reinforced with ethylene glycol (EG) and cellulose nanocrystals (CNCs) respectively. The thin films of cross-linked composite membranes were prepared by solvent casting method and further analysed for physicochemical and electrochemical properties to execute their applicability as promising proton exchange membrane (PEM) in fuel cells. The process of cross-linking helps to improve the strength and dimensional stability of bare SPEEK membranes without compromising with conductivity. However, presence of CNCs further improves the strength and provides an effective pathway for the conduction of protons in membranes by interacting through their surface hydroxyl and sulfonic acid groups with ionic moieties of polymer matrix. All prepared composite membranes showed good oxidative and thermal stability along with good proton conductivity. The cross-linked SPEEK membranes with 4 wt\% loading of CNCs possess an appreciable proton conductivity of 0.186 S/cm at 95 degrees C and 95\% RH which is comparable to Nafion 117. From the view point of above studies, the prepared nano-composite can be described as promising proton exchange membrane for fuel cells. (c) 2018 Elsevier Ltd. All rights reserved.

}, keywords = {Cellulose nanocrystals, Cross-linked SPEEK, fuel cell, oxidative stability, proton conductivity}, issn = {0013-4686}, doi = {10.1016/j.electacta.2018.10.029}, author = {Bano, Saleheen and Negi, Yuvraj S. and Illathvalappil, Rajith and Kurungot, Sreekumar and Ramya, K.} } @article {46288, title = {Studies on the use of sodium polyacrylate (SPA) for low-salt animal skin preservation}, journal = {Environmental Science and Pollution Research}, volume = {26}, year = {2019}, month = {SEP}, pages = { 27100-27111}, type = {Article}, abstract = {

Salt-based preservation is practiced for decades in the leather industry because of its versatility, cost-effectiveness, and availability. The salt removed from the soaking process causes significant pollution including organic and elevated total dissolved solids (TDS). Hence, a low-salt skin preservation method using commercial sodium polyacrylate with a reduced quantity of sodium chloride aiming to retain leather properties and pollution reduction was the principal focus of the study. Commercial sodium polyacrylate initially characterized for water absorption capacity along with structural and functional properties is confirmed by NMR and IR spectroscopic techniques. In preliminary experiments, the process parameters attained optimized conditions of sodium polyacrylate (SPA) quantity (5\%), a minimal amount of salt (15\%), and contact time (4 h) required for skin preservation. Besides, reusability studies after SPA recovery (95\%) were applied to skins with an optimized quantity of SPA and salt subsequently stored for 15 days along with control (40\% salt). The results revealed that SPA with low salt aided an adequate curing efficiency with a substantial reduction (\> 65\%) of TDS and comparable physical and organoleptic properties on par with the conventional method. Overall, SPA supported low-salt skin preservation reduces pollutant load (TDS) caused due to using of 40\% sodium chloride in the conventional curing process.

}, doi = {10.1007/s11356-019-05871-y}, author = {Balasubramanian, Venkatakrishnan and Velappan, Brindha and Vijayan, Sandhya Kurvilla and Jabamani, Hepzibah and Nagarajan, Vedaraman and Victor, John Sundar and Ranganath, Suresha P. and Badiger, Manohar V. and Chinnaraj, Velappan kandukalpatti and Chellappa, Muralidharan} } @article {45601, title = {Studies toward the total synthesis of parvifolals A/B: an intramolecular o-quinone methide [4 + 2]-cycloaddition to construct the central tetracyclic core}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {810{\textendash}818}, type = {Article}, abstract = {

Two different approaches funded upon the intramolecular [4 + 2]-cycloaddition of in situ generated o-quinone methides have been explored to construct the central tetracyclic core of parvifolals A/B. At the outset, a cross-pinacol coupling of 2-formyl tri-O-methyl resveratrol with 4-methoxysalicylaldehyde followed by acid treatment was found to provide the desired tetracyclic core with an internal olefin. The requisite pendant aryl group has been introduced by a Pd-catalyzed direct coupling of corresponding diazonium salt.

}, doi = {10.1021/acsomega.8b02777}, author = {Paymode, D. J. and Ramana, C. V.} } @article {46071, title = {Study of rheology and plug assist thermoforming of linear and branched pp homopolymer and impact copolymer}, journal = {International Polymer Processing}, volume = {34}, year = {2019}, month = {JUL}, pages = {339-355}, type = {Article}, abstract = {

Polypropylene (PP) is one of the fastest growing thermoplastic polymers in the world, second only to polyethylene. This is primarily due to its excellent balance of physical and chemical properties at a lower cost. PP however possesses low melt strength on account of its linear structure and hence is not easily amenable to processing techniques that involve free surface stretching deformations like thermoforming, blow molding and extrusion film casting. One way to enhance the melt strength of PP is to incorporate long chain branches in its molecular architecture. The present study focuses on the impact of rheology of linear and branched PP on their thermoforming characteristics. Two grades each of linear and long chain branched (LCB) PP homopolymer and impact copolymer (ICP) were used. It was observed that the LCB-PP homopolymer and LCB-ICP showed higher flow activation energy, reduced value of loss tangent and nearly equal frequency dependence of storage and loss moduli in shear rheology. Also, a strong strain hardening behavior was displayed in extensional rheology by the LCB grades. Plug assist thermoforming experiments were carried out to assess the effect of long chain branching on surface strain and thickness distribution for axisymmetric cups of two draw ratios. Biaxial surface strain maps of the formed cups were quantified using Grid Strain Analysis (GSA). Thermoformed cups made from LCB-PP homopolymer and LCB-impact copolymer showed lower surface strain and overall higher thickness as compared to cups made from their linear counterparts, which is in accordance with what might be expected from their rheology.

}, issn = {0930-777X}, doi = {10.3139/217.3704}, author = {Marathe, D. and Shelar, S. and Mahajan, S. and Ahmad, Z. and Gupta, S. and Kulkarni, S. and Juvekar, V and Lele, A.} } @article {46354, title = {Superfluous glutamine synthetase activity in Chinese Hamster Ovary cells selected under glutamine limitation is growth limiting in glutamine-replete conditions and can be inhibited by serine}, journal = {Biotechnology Progress}, volume = {35}, year = {2019}, month = {SEP-OCT}, pages = {UNSP e2856}, type = {Article}, abstract = {

Passaging and expansion of animal cells in lean maintenance medium could result in periods of limitation of some nutrients. Over time, such stresses could possibly result in selection of cells with metabolic changes and contribute to heterogeneity. Here, we investigate whether selection of Chinese Hamster Ovary (CHO) cells under glutamine limitation results in changes in growth under glutamine-replete conditions. In glutamine-limiting medium, compared to control cells passaged in glutamine-rich medium, the selected cells showed higher glutamine synthetase (GS) activity and attained a higher peak viable cell density (PVCD). Surprisingly, in glutamine-replete conditions, selected cells still showed a higher GS activity but a lower PVCD. We show that in glutamine-replete medium, PVCD of selected cells was restored on (a) inhibition of GS activity with methionine sulfoximine, (b) supplementation of aspartate-without affecting GS activity, and (c) supplementation of serine, which is reported to inhibit GS in vitro. Consistent with the reported effect of serine, inhibition of GS activity was observed upon serine supplementation along with reduced growth of cells under glutamine-limiting conditions. The latter observation is important for the design of glutamine-free culture medium and feed used for GS-CHO and GS-NS0. In summary, we show that CHO cells selected under glutamine limitation have superfluous GS activity in glutamine-replete medium, which negatively affects their PVCD. This may be due to its effect on availability of aspartate which was the limiting nutrient for the growth of selected cells in glutamine-replete conditions.

}, keywords = {C-13 tracer analysis, CHO cells, glutamine limitation, Glutamine synthetase, GS-CHO, GS-NS0, selection under nutrient limitation, serine}, issn = {8756-7938}, doi = {10.1002/btpr.2856}, author = {Maralingannavar, Vishwanathgouda and Parmar, Dharmeshkumar and Panchagnula, Venkateswarlu and Gadgil, Mugdha} } @article {46044, title = {Superior humidity sensor and photodetector of mesoporous ZnO nanosheets at room temperature}, journal = {Sensors and Actuators B-Chemical}, volume = {293}, year = {2019}, month = {AUG}, pages = {83-92}, type = {Article}, abstract = {

Miniaturized sensor technology is vastly demanding multifunctional materials to fulfill many requirements simultaneously; instead of integrating various sensors into a single device. Efficient operation of these miniaturized sensors at room temperature is highly feasible and cost-effective. The humidity sensing and photodetection is precise merit of sensing in special usage like artificial skin. Sensitivity enhancement in both humidity and photodetection required the high surface area for adsorption as well as a high charge transfer mechanism. The two dimensional (2D) zinc oxide nanosheets (ZnO NS) is the ultimate structure for dimensionally confined transport properties owing to the specific surface atomic configuration that results in high sensitivity, low operating temperature, fast response and recovery, and improved selectivity. Furthermore, introducing porosity into 2D nanostructures has opened new opportunities to enhance the efficiency of sensors and detectors via increasing large surface area and tunable physical and chemical properties. Here we report preparation of mesoporous and highly crystalline 2D ZnO NS by a single step, template free, cost-effective chemical method. The structural and morphological characterizations of ZnO NS are carried out using XRD, FESEM, XPS, TEM respectively. The high-resolution TEM images emphasize sheet-like morphology with a thickness of around 18-22 nm. Further the mesoporous ZnO NS (MZNS) with the pore size between 5-10 nm are achieved by simple heat-treatment. XPS and PL study is confirming the oxygen deficiency in MZNS. The MZNS exhibits an excellent responsivity than PZNS with a fast response and rapid recovery time of 25 s and 5 s respectively along with good cyclic stability which is highly crucial for smart humidity sensor. Furthermore, it considerably enhances photo-sensor performance than pristine ZnO NS (PZNS) with (similar to)1 s response time as well as (similar to)1 s recovery time along with better stability. These promising results illustrate the great potential of MZNS for next-generation humidity sensors and photodetectors.

}, keywords = {humidity sensor, Mesoporous, nanosheets, Photo-detector}, issn = {0925-4005}, doi = {10.1016/j.snb.2019.04.086}, author = {Gupta, Shobhnath P. and Pawbake, Amit S. and Sathe, Bhaskar R. and Late, Dattatray J. and Walke, Pravin S.} } @article {46069, title = {Supramolecular synthon hierarchy in sulfonamide cocrystals with syn-amides and N-oxides}, journal = {IUCRJ}, volume = {6}, year = {2019}, month = {JUL}, pages = {751-760}, type = {Article}, abstract = {

Sulfonamide drugs are well known antibacterial and antimicrobial molecules for pharmaceutical development. Building a library of suitable supramolecular synthons for the sulfonamide functional group and understanding their crystal structures with partner coformer molecules continues to be a challenge in crystal engineering. Although a few sulfonamide cocrystals with amides and N-oxides have been reported, the body of work on sulfonamide synthons is limited compared with those that have carboxylic acids and carboxamides. To address this structural gap, the present work is primarily focused on sulfonamide-lactam and sulfonamide-syn-amide synthons with drugs such as celecoxib, hydrochlorothiazide and furosemide. Furthermore, the electrostatic potential of previously reported cocrystals has been recalculated to show that the negative electrostatic potential on the lactam and syn-amide O atom is higher compared with the charge on carboxamide and pyridine N-oxide O atoms. The potential of sulfonamide molecules to form cocrystals with syn-amides and lactams are evaluated in terms of the electrostatic potential energy for the designed supramolecular synthons.

}, keywords = {cocrystals, crystal engineering, sulfonamides, supramolecular synthons, syn-amides}, issn = {2052-2525}, doi = {10.1107/S2052252519005037}, author = {Bolla, Geetha and Nangia, Ashwini} } @article {46143, title = {Surfactant free synthesis of Au@Ni core-shell nanochains in aqueous medium as efficient transfer hydrogenation catalyst}, journal = {Applied Catalysis A-General}, volume = {575}, year = {2019}, month = {APR }, pages = {93-100}, type = {Article}, abstract = {

A surfactant free aqueous phase synthesis method is reported for the generation of highly lattice mismatched Au@Ni core-shell nanochains without using any expensive and hazardous organic ligands. As synthesised Au@Ni nanochain structures showed high thermal stability and bulk oxidation resistance up to 300 degrees C. In situ near ambient pressure XPS (NAPXPS) analysis has been done for the bare Au@Ni nanochain surfaces under oxygen atmosphere and at different temperatures which showed evidence for the surface oxidation resistance of naked Au@Ni nanochains up to 200 degrees C. Ligand or capping agent free Au@Ni nanochain surfaces are found to be highly active for transfer hydrogenation of acetophenone to 1-phenyl ethanol an important commodity in perfumery industry.

}, keywords = {Au@Ni nanochains, core-shell, NAPXPS, Surfactant free, synergistic effects, transfer hydrogenation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2019.01.017}, author = {Vysakh, A. B. and Shebin, K. J. and Jain, Ruchi and Sumanta, P. and Gopinath, Chinnakonda S. and Vinod, C. P.} } @article {46304, title = {Sustained release insect repellent microcapsules using modified cellulose nanofibers (mCNF) as pickering emulsifier}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {582}, year = {2019}, month = {DEC }, pages = {Article Number:123883}, type = {Article}, abstract = {

We report here an approach to encapsulate N, N-diethyl-3-methylbenzamide (DEET), an insect repellent, through interfacial polycondensation using modified cellulose nanofiber (CNF) as pickering emulsifier. We found that stearic acid functionalized CNF (mCNF) can be used to form stable pickering emulsions (oil-in-oil and water-in-oil), and further encapsulate DEET using interfacial polycondensation with very high encapsulation efficiency of about 98\%. Another major advantage of this approach is that mCNF can act both as pickering emulsifier and also strengthen the barrier properties of microcapsules resulting in significant reduction in release rate of DEET. Interpretation of the release profiles using standard mathematical models proposed by Ritger-Peppas show a factor of three reduction in release rate constant for the microcapsules reinforced with mCNF.

}, keywords = {Cellulose nanofiber, Controlled release, Microcapsules, Nanocomposite, nanoparticle, Pickering emulsion}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2019.123883}, author = {Kadam, Sandip L. and Yadav, Prashant and Bhutkar, Siddhant and Patil, Vishal D. and Shukla, Parshuram G. and Shanmuganathan, Kadhiravan} } @article {45606, title = {Synergetic combination of H2Zr1PW12O40 and Sn-Beta as potential solid acid catalyst for direct one-step transformation of glucose to ethyl levulinate, a biofuel additive}, journal = {Environmental Progress and Sustainable Energy}, year = {2019}, month = {FEB}, type = {Article}, abstract = {Ethyl levulinate (EL) has found wide applications as chemicals and biofuel additives. Efficient catalytic conversion of abundantly available glucose to ELs over solid acid catalyst having optimum Br{\o}nsted (B) and Lewis (L) acidity is highly appreciated. Present work demonstrated, direct one-step synthesis of EL from glucose over synergized Br{\o}nsted (H2Zr1PW12O40) and Lewis (Sn-Beta) acid catalyst. H2Zr1PW12O40 is prepared by exchanging H+ of tungstophosphoric acid (H3PW12O40-heteropolyacid) with Zr, improves the heterogeneity in polar medium by 50\%. The combination of a physical mixture of H2Zr1PW12O40 + Sn-Beta with 80:20 weight ratio was found to be optimum for the maximum EL yield formation of 54\% from glucose at 180{\textdegree}C for 3 h, which is probably the highest than reported over the heterogeneous catalyst in ethanol medium. An optimal combination of B and L catalyst and its ratio is found to be crucial for the direct transformation of glucose to EL in one step. The present study also explored that this combined physical mixture of H2Zr1PW12O40 + Sn-Beta can tolerate glucose concentration up to 30 g/L, which is probably the higher than reported. {\textcopyright} 2019 American Institute of Chemical Engineers Environ Prog, 2019}, doi = {10.1002/ep.13173}, author = {Mulik, N. and Niphadkar, P. and Bokade, V.} } @article {46012, title = {Synthesis and antimycobacterial evaluation of new 5-(1-benzyl-1H-1,2,3-triazol-4-yl)-4-methyl-2-arylthiazole derivatives}, journal = {Medicinal Chemistry Research}, volume = {28}, year = {2019}, month = {JUN}, pages = {805-819}, type = {Article}, abstract = {

A new series of 5-(1-benzyl-1H-1,2,3-triazol-4-yl)-4-methyl-2-arylthiazole derivatives, 6a-w have been synthesized by click reaction of substituted benzylazide, 5a-d with 5-ethynyl-4-methyl-2-substituted phenylthiazole, 4a-f. The starting compounds 4-ethynyl-2-substituted phenylthiazole (4a-f) were synthesized from the corresponding thiazole aldehyde by using the Ohira-Bestmann reagent. The structure of the synthesized compounds was determined by spectral analysis. All the synthesized compounds were screened for their preliminary antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB, ATCC 25177). Most of the synthesized compounds reported good activity against M. tuberculosis H37Ra strain with IC50 range of 0.58-8.23 mu g/mL. Compounds 6g and 6k reported good antitubercular activity with MIC90 values of 4.71 and 2.22 mu g/mL, respectively. Potential antimycobacterial activity suggested that these compounds could serve as good lead compounds for further optimization and development of a newer antitubercular candidate. [GRAPHICS] .

}, keywords = {1, 2, 3-Triazole, Antitubercular activity, Molecular docking, Ohira-Bestmann reagent, Thiazole}, issn = {1054-2523}, doi = {10.1007/s00044-019-02310-y}, author = {Shinde, Vikas and Mahulikar, Pramod and Mhaske, Pravin C. and Chakraborty, Shakti and Choudhari, Amit and Phalle, Siddharth and Choudhari, Prafulla and Sarkar, Dhiman} } @article {46201, title = {Synthesis and biological evaluation of 2,4,5-trisubstituted thiazoles as antituberculosis agents effective against drug-resistant tuberculosis}, journal = {European Journal of Medicinal Chemistry}, volume = {178}, year = {2019}, month = {SEP}, pages = {315-328}, type = {Article}, abstract = {

The dormant and resistant form of Mycobacterium tuberculosis presents a challenge in developing new anti-tubercular drugs. Herein, we report the synthesis and evaluation of trisubstituted thiazoles as antituberculosis agents. The SAR study has identified a requirement of hydrophobic substituent at C2, ester functionality at C4, and various groups with hydrogen bond acceptor character at C5 of thiazole scaffold. This has led to the identification of 13h and 13p as lead compounds. These compounds inhibited the dormant Mycobacterium tuberculosis H37Ra strain and M. tuberculosis H37Rv selectively. Importantly, 13h and 13p were non-toxic to CHO cells. The 13p showed activity against multidrug-resistant tuberculosis isolates. (C) 2019 Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.ejmech.2019.05.082}, author = {Karale, Uttam B. and Krishna, Vagolu Siva and Krishna, E. Vamshi and Choudhari, Amit S. and Shukla, Manjulika and Gaikwad, Vikas R. and Mahizhaveni, B. and Chopra, Sidharth and Misra, Sunil and Sarkar, Dhiman and Sriram, Dharmarajan and Dusthackeer, V. N. Azger and Rode, Haridas B.} } @article {46290, title = {Synthesis and biological evaluation of new 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)phenyl)-2-phenylthiazole derivatives}, journal = {Journal of Heterocyclic Chemistry}, year = {2019}, month = {SEP}, type = {Article; Early Access}, abstract = {

A novel series of 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)phenyl)-2-substitutedthiazole derivatives (8a-l) have been synthesized by [3 + 2] cycloaddition reaction of 4-(4-ethynylphenyl)-2-substitutedthiazole with substituted benzyl azide in aqueous DMF. Starting compounds 4-(4-ethynylphenyl)-2-substitutedthiazole (6a-d) were synthesized by reaction of 4-(2-substitutedthiazol-4-yl)benzaldehyde with Ohira-Bestmann reagent in methanol. The structures of these novel triazole-thiazole clubbed derivatives were confirmed by the spectral analysis. The title compounds (8a-l) were tested for antimycobacterial activity against Mycobacterium tuberculosis H37Ra active and dormant (MTB, ATCC 25177) and antimicrobial activity against standard Gram-positive bacteria, Staphylococcus aureus (NCIM 2602) and Bacillus subtilis (NCIM 2162), and Gram-negative bacteria, Escherichia coli (NCIM 2576) and Pseudomonas flurescence (NCIM 2059). Compounds 8a, 8b, 8c, and 8h reported good activity against B subtilis, compounds 8a, 8b, and 8c showed good activity against S aureus, and compound 8b showed good activity against dormant M tuberculosis H37Rv strain. Compounds 8b and 8c found more potent against Gram positive and dormant M tuberculosis H37Rv strains. These novel triazole-thiazole clubbed analogues found to be a capable leads for further optimization and development.

}, issn = {0022-152X}, doi = {10.1002/jhet.3708}, author = {Shinde, Vikas and Mhaske, Pravin C. and Singh, Aakriti and Sarkar, Dhiman and Mahulikar, Pramod} } @article {45575, title = {Synthesis and characterization of zinc oxide nanoparticles by using polyol chemistry for their antimicrobial and antibiofilm activity}, journal = {Biochemistry and Biophysics Reports }, volume = {17}, year = {2019}, month = {MAR}, pages = {71-80}, type = {Article}, abstract = {The present investigation deals with facile polyol mediated synthesis and characterization of ZnO nanoparticles and their antimicrobial activities against pathogenic microorganisms. The synthesis process was carried out by refluxing zinc acetate precursor in diethylene glycol(DEG) and triethylene glycol(TEG) in the presence and in the absence of sodium acetate for 2 h and 3 h. All synthesized ZnO nanoparticles were characterized by X-ray diffraction (XRD), UV visible spectroscopy (UV), thermogravimetric analysis (TGA), fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy(FESEM), transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy (EDX) technique. All nanoparticles showed different degree of antibacterial and antibiofilm activity against Gram-positive Staphylococcus aureus (NCIM 2654)and Gram-negative Proteus vulgaris (NCIM 2613). The antibacterial and antibiofilm activity was inversely proportional to the size of the synthesized ZnO nanoparticles. Among all prepared particles, ZnO nanoparticles with least size (~ 15 nm) prepared by refluxing zinc acetate dihydrate in diethylene glycol for 3 h exhibited remarkable antibacterial and antibiofilm activity which may serve as potential alternatives in biomedical application.}, doi = {10.1016/j.bbrep.2018.11.007}, author = {Mahamuni, P. P. and Patil, P. M. and Dhanavade, M. J. and Badiger, M. V. and Shadija, P. G. and Lokhande, A. C. and Bohara, R. A.} } @article {46248, title = { Synthesis and reactivity of a hypersilylsilylene }, journal = {Inorganic chemistry}, volume = {58}, year = {2019}, month = {AUG}, pages = {10536-10542}, type = {Article}, abstract = {

Stabilization of an amidinatosilylene with a bulky tris(trimethylsilyl)silyl substituent was realized with the preparation of PhC(NtBu)(2)Si{Si(SiMe3)(3)} (1) from PhC(NtBu)(2)SiHCl2 with K{Si(SiMe3)(3)} in more than 90\% yield. The highly deshielded Si-29 NMR resonance (delta = 76.91 ppm) can be attributed to the absence of a pi-donating substituent. The molecular structure of 1 shows a trigonal-planar geometry around the Si-II center with a Si-II-Si-IV bond length of 2.4339(13) angstrom. A series of reactions of 1 with Me3NO, S, Se, and Te were performed. While siloxane derivatives (2 and 3) are obtained from reactions with Me3NO, silachalcogenones (4-6) are formed with other chalcogens. The presence of Si=E (E = S, Se, and Te) bonds in 4-6 have been confirmed by single crystal X-ray studies. Silaoxirane (7) formation was observed when 1 was treated with acetone, demonstrating the importance of the tris(trimethylsilyl)silyl group to kinetically and thermodynamically protect the silaoxirane derivative with less bulky substituents on the C atom.

}, doi = {10.1021/acs.inorgchem.9b00418}, author = {Bisai, Milan Kumar and Swamy, V. S. V. S. N. and Das, Tamal and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {46223, title = {Synthesis, biological evaluation and molecular modeling studies of novel chromone/Aza-Chromone fused alpha-aminophosphonates as src kinase inhibitors}, journal = {Journal of Scientific \& Industrial Research}, volume = {78}, year = {2019}, month = {FEB}, pages = {111-117}, type = {Article}, abstract = {

A series of novel chromone/aza-chromone fused alpha-aminophosphonate derivatives were synthesized in good yields using silica chloride as the catalyst. All the synthesized compounds were tested for their c-Src kinase inhibitory activity. Aza-chromone compound showed Src kinase inhibition with an IC50 value of 15.8 mu M. The compounds were subjected to molecular docking and dynamics simulations to study the atomic level interactions with an unphosphorylated proto-oncogenic tyrosine protein kinase Src (PDB code 1Y57) as well as phosphorylated tyrosine protein kinase Src (PDB code 2H8H). Docking and molecular dynamic results revealed phosphorylated Src tyrosine kinase protein better results than unphosphorylated tyrosine Src kinase protein. Chemoinformatics study revealed the compounds had lead like properties. Machine learning (SVR) models were built to study the structure activity correlations. A CC of 0.835 was obtained when the SVR model was applied to the 17 synthesized compounds. It is envisaged that the work will provide guidelines for future drug design efforts for Src kinase inhibitors.

}, author = {Bapat, S. and Viswanadh, N. and Mujahid, M. and Shirazi, A. N. and Tiwari, R. K. and Parang, K. and Karthikeyan, M. and Muthukrishnan, M. and Vyas, Renu} } @article {47493, title = {Synthesis, biological evaluation and molecular modeling studies of novel chromone/Aza-chromone fused α-aminophosphonates as Src kinase inhibitors}, journal = {Journal of Scientific and Industrial Research}, volume = {78}, year = {2019}, month = {FEB}, pages = {111-117}, type = {Article}, abstract = {A series of novel chromone/aza-chromone fused α-aminophosphonate derivatives were synthesized in good yields using silica chloride as the catalyst. All the synthesized compounds were tested for their c-Src kinase inhibitory activity. Aza-chromone compound showed Src kinase inhibition with an IC50 value of 15.8 {\textmu}M. The compounds were subjected to molecular docking and dynamics simulations to study the atomic level interactions with an unphosphorylated proto-oncogenic tyrosine protein kinase Src (PDB code 1Y57) as well as phosphorylated tyrosine protein kinase Src (PDB code 2H8H). Docking and molecular dynamic results revealed phosphorylated Src tyrosine kinase protein better results than unphosphorylated tyrosine Src kinase protein. Chemoinformatics study revealed the compounds had lead like properties. Machine learning (SVR) models were built to study the structure activity correlations. A CC of 0.835 was obtained when the SVR model was applied to the 17 synthesized compounds. It is envisaged that the work will provide guidelines for future drug design efforts for Src kinase inhibitors.}, author = {Bapat, Sanket and Viswanadh, N. and Mujahid, M. and Shirazi, Amir Nasrolahi and Tiwari, Rakesh and Parang, Keykavous and Karthikeyan, Muthukumarasamy and Muthukrishnan, M. and Vyas, Renu} } @article {46009, title = {Synthesis, characterization, Hirshfeld surface, cytotoxicity, DNA damage and cell cycle arrest studies of N, N-diphenyl-N {\textquoteleft}-(biphenyl-4-carbonyl/4-chlorobenzoyl) thiocarbamides}, journal = {Journal of Molecular Structure}, volume = {1186}, year = {2019}, month = {JUN}, pages = {333-344}, type = {Article}, abstract = {

The condensation reaction of biphenyl-4-carbonyl isothiocyanate/4-chlorobenzoyl isothiocyanate with diphenylamine yielded two new compounds; N-diphenyl-N{\textquoteright}-(biphenyl-4-carbonyl) thiocarbamide (1) and N, N-diphenyl-N{\textquoteright}-(4-chlorobenzoyl) thiocarbamide (2). Structure of the compounds were determined by analytical, spectroscopic (UV-Visible, FT-IR, H-1, \& C-13 NMR), powder and single-crystal X-ray diffraction methods. Hirshfeld surface analysis and their associated two dimensional fingerprint plots of compounds were used as theoretical approach to assess driving force for crystal structure formation via the intermolecular interactions in their crystal lattices. The compounds were screened for their in vitro cytotoxicity activity against a panel of five human cancer cell lines namely; cervical (2008 and C13*) and ovarian carcinoma (A2780, A2780/CP and IGROV-1). Both the compounds exhibited promising activity against cervical and IGROV-1 cancer cells whereas for the other two cell lines appreciable activities were observed. The cell cycle arrest at G(0)/G(1) phase is supported by the DNA damage and apoptosis studies of the compounds against 2008, C13* and IGROV-1 cell lines. (C) 2019 Elsevier B.V. All rights reserved.

}, keywords = {DNA damage and cell cycle arrest, Hirshfeld surface analysis, In vitro cytotoxicity, Thiocarbamide, X-ray crystal structure}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2019.03.057}, author = {Pandey, Sunil K. and Pratap, Seema and Rai, Sunil K. and Marverti, Gaetano and Kaur, Manpreet and Jasinski, Jerry P.} } @article {45480, title = {Synthesis, characterization, pharmacological and computational studies of 4, 5, 6, 7-tetrahydro-1, 3-benzothiazole incorporated azo dyes}, journal = {Journal of Molecular Structure}, volume = {1179}, year = {2019}, month = {MAR}, pages = {630-641}, type = {Article}, abstract = {

The present work describes the synthesis of five novel heterocyclic azo dyes (4a-4e) through conventional diazo-coupling reaction of 4, 5, 6, 7-tetrahydro-1, 3-benzothiazole with various coupling compounds at 0-5 degrees C. The chemical structures of the synthesized azo dyes were characterized by both theoretical and experimental techniques. All the synthesized molecules were evaluated for their antioxidant activity by two different techniques such as DPPH and FRAP. The results indicated that all the synthesized compounds proved to be potent antioxidants. The anti-mycobacterial activity of the azo dyes was tested against M. tuberculosis and the compounds 4a and 4e showed higher activity among the tested dyes. The DNA binding studies showed effective intercalation properties between the azo dyes and CT-DNA. Finally, the molecular docking studies indicated a possible interaction of the azo dyes with target receptor RpsA. (C) 2018 Elsevier B.V. All rights reserved.

}, keywords = {Azo dyes, Benzothiazole, CT-DNA, DFT, tuberculosis}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2018.11.041}, author = {Maliyappa, M. R. and Keshavayya, J. and Mallikarjuna, N. M. and Krishna, P. Murali and Shivakumara, N. and Sandeep, Telkar and Sailaja, Krishnamurty and Nazrulla, Mohammed Azeezulla} } @article {45507, title = {Synthesis of 2-Aryl naphthoquinones by the cross-dehydrogenative coupling involving an NHC-catalyzed endo-stetter reaction}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {JAN }, pages = {1103-1110}, type = {Article}, abstract = {

An N-heterocyclic carbene (NHC)-catalyzed intramolecular Stetter reaction proceeding via the endo-fashion was the key step for the transition-metal-free and mild cross-dehydrogenative coupling of 2-cinnamoyl benzal-dehydes allowing for the synthesis of 2-aryl naphthoquinones. In this transformation, the carbene generated from the triazolium salt using Na2CO3 catalyzes the intramolecular Stetter reaction, which was followed by air oxidation to reinstall the C-C double bond.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02931}, author = {Ghosh, Arghya and Patra, Atanu and Mukherjee, Subrata and Biju, Akkattu T.} } @article {46417, title = {Synthesis of a 3D free standing crystalline NiSex matrix for electrochemical energy storage applications}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {DEC }, pages = {16873-16881}, type = {Article}, abstract = {

The electrochemical performance for energy storage of three-dimensional (3D) self-supported heterogeneous NiSex cubic-orthorhombic nanocrystals grown by a facile one-step chemical vapour deposition (CVD) approach on Ni foam substrates has been explored. NiSex shows a high specific capacitance of 1333 F g(-1) with ultra-high energy (105 W h kg(-1)) and power (54 kW kg(-1)) densities. Furthermore, by integrating the as-grown NiSex as the anode and reduced graphene oxide as the cathode, a hybrid super-capacitor (HSC) prototype with a coin cell configuration has been fabricated. The device shows better capacitance (40 F g(-1)) with high energy (22 W h kg(-1)) and power (5.8 kW kg(-1)) densities and robust cycling durability (similar to 88\% capacitance retention after 10 000 repeated cycles). For practical reliability of the as-fabricated HSC, a red LED has been illuminated by connecting it with two charged coin cells. These outstanding performances of the HSC prove to be promising for applications in high energy storage systems.

}, issn = {1477-9226}, doi = {10.1039/c9dt03150b}, author = {Dinara, Syed Mukulika and Samantara, Aneeya K. and Das, Jiban K. and Behera, J. N. and Nayak, Saroj K. and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {46165, title = {Synthesis of artemisinin derived glycoconjugates inspired by click chemistry}, journal = {New Journal of Chemistry}, volume = {43}, year = {2019}, month = {MAR }, pages = {4017-4021}, type = {Article}, abstract = {

Herein we describe the synthesis of artemisinin based glycoconjugates (9a-i) through employing a Cu(i)-catalysed reaction between -propargylated dihydroartemisinin (7a) and azido sugars (8a-i), with moderate to excellent yields. Our synthesized artemisinin based glycoconjugates (9a-i) could prove to be an interesting class of bioactive molecules, suitable for the study of their various biological activities.

}, issn = {1144-0546}, doi = {10.1039/c8nj05737k}, author = {Goswami, Lakshmi and Paul, Sayantan and Kotammagari, Tharun K. and Bhattacharya, Asish K.} } @article {46220, title = { Synthesis of biodiesel using the Mg/Al/Zn hydrotalcite/SBA-15 nanocomposite catalyst }, journal = {Acs Omega}, volume = {4}, year = {2019}, month = {FEB}, pages = {3500-3507}, type = {Article}, abstract = {

Biodiesel production is an enchanting and eccentric pathway for the reduction of use of fossil fuels and is procured from biologically available renewable sources such as oils and fats. A novel Mg/Al/Zn-based hydrotalcite/SBA-15 composite material having a high catalytic activity was developed and investigated for the transesterification of vegetable oil. The rationally developed composites were systematically characterized and assessed in the transesterification of soybean oil in the presence of methanol. The physicochemical evaluation of the nanocomposites demonstrated the influence of Zn in the textural characteristics, density of the basic sites, and successively the catalytic activity. The catalytic efficiency of the MAZ-x/SBA-15 composite could be linked with the basic site density determined by the temperature-programmed desorption of CO2. Among all the composites used, the MAZ-1/SBA-15 nanocomposite showed the highest activity for biodiesels, with a yield of around 90\% under economical reaction conditions. The catalytic studies conferred that the fatty acid methyl ester yield is significantly influenced by various experimental conditions such as the catalyst molar ratio, reaction temperature, pressure, and contact time. It was also found that the incorporation of hydrotalcite into SBA-15 pore channels can enhance the catalyst efficiency and stability of the nanocomposite. Moreover, under mild reaction conditions, a remarkably stable catalytic performance was achieved for more than 200 h of time on stream with no catalyst deactivation.

}, doi = {10.1021/acsomega.8b02547}, author = {Prabu, Marimuthu and Manikandan, Marimuthu and Kandasamy, Prabu and Kalaivani, P. R. and Rajendiran, Nagappan and Raja, Thirumalaiswamy} } @article {47483, title = {Synthesis of biphasic nanomaterials based on ZnO and SnO2: application towards photocatalytic degradation of acid red dye}, journal = {Nano-Structures \& Nano-Objects}, volume = {18}, year = {2019}, month = {APR}, type = {Article}, abstract = {Zn2SnO4/SnO2 and ZnO/SnO2 biphasic nanocatalysts have been synthesized by a facile solvothermal method using ethylene glycol (EG) as solvent in three different ways maintaining the pH of the solution at either 3 or 9 followed by calcination at 700 {\textdegree}C. The nanocatalysts are characterized by different techniques to investigate their structure, composition, morphology and optical properties. The XRD results indicate the formation of pristine biphasic composites. The UV-absorbance and photoluminescence spectra confirms the formation of biphasic composites as well as presence of large number of defects in the prepared nanocatalysts. The biphasic nanocomposites possess better photocatalytic activity towards the degradation of Acid Red-183 (AR-183) dye than pristine SnO2 and ZnO nanoparticles. This is mainly due to better charge separation, minimal recombination rate of charge carriers and defect-riched structures of nanocatalysts.}, doi = {10.1016/j.nanoso.2019.100292}, author = {Kudale, Ananada S. and Kamble, Santosh B. and Gore, Anil H. and Pisal, Mahesh M. and Salokhe, Anil T. and Kolekar, Govind B. and Helavi, Vasant B.} } @article {46212, title = {Synthesis of chiral tetrahydrofuran building blocks from pantolactones: application in the synthesis of empagliflozin and amprenavir analogs}, journal = {Europen Journal of Organic Chemistry}, year = {2019}, month = {JUL}, type = {Article}, abstract = {

Chiral 4,4-dimethyl tetrahydrofuran (THF) derivatives were synthesized from commercially available D-(-)/ l-(+) pantolactones, which can serve as chiral building blocks in medicinal chemistry. In addition, two of the synthesized building blocks were utilized for the synthesis of new amprenavir (HIV protease inhibitor) and empagliflozin (anti-diabetic) analogs. The synthesized analogs may have beneficial effects in terms of pharmacokinetics and modulation of bioactivity.

}, doi = {10.1002/ejoc.201900718}, author = {Athawale, Paresh R and Kumari, Neeta and Kashinath, K and Reddy, D. Srinivasa} } @article {46281, title = {Synthesis of deuterated isopentyl pyrophosphates for chemo-enzymatic labelling methods: GC-EI-MS based 1,2-hydride shift in epicedrol biosynthesis}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {SEP}, pages = { 28258-28261}, type = {Article}, abstract = {

A sesquiterpene epicedrol cyclase mechanism was elucidated based on the gas chromatography coupled to electron impact mass spectrometry fragmentation data of deuterated (H-2) epicedrol analogues. The chemo-enzymatic method was applied for the specific synthesis of 8-position labelled farnesyl pyrophosphate and epicedrol. EI-MS fragmentation ions compared with non-labelled and isotopic mass shift fragments suggest that the H-2 of C6 migrates to the C7 position during the cyclization mechanism.

}, doi = {10.1039/c9ra00163h}, author = {Said, Madhukar S. and Navale, Govinda R. and Gajbhiye, Jayant M. and Shinde, Sandip S.} } @article {46203, title = {Synthesis of hexaphenylbenzene-based template assembled synthetic proteins}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

Template-assembled synthetic proteins (TASPs) synthesized from rigid templates have attracted attention due to their interesting structural architectures and potential biomedical applications. Herein, we report the design, synthesis and characterizations of TASPs based on hexaphenylbenzene template (HPB) having twelve peptide attachable axial-arms in its structure. The peptides were attached to all the axial-arms of the template in a single step using simple solution phase peptide coupling strategy. The reaction conditions were standardized systematically using simple amines from smaller size to larger ones. (C) 2019 Elsevier Ltd. All rights reserved.

}, doi = {10.1016/j.tetlet.2019.07.011}, author = {Madhu, Suresh and Madica, Krishnaprasad and Gonnade, Rajesh and Sanjayan, Gangadhar J} } @article {46440, title = {Synthesis of high surface area porous carbon from anaerobic digestate and it{\textquoteright}s electrochemical study as an electrode material for ultracapacitors}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {NOV}, pages = {36343-36350}, type = {Article}, abstract = {

The remnants of the anaerobic digestion process, {\textquoteleft}the digestate,{\textquoteright} mainly consist of fibrous lignin and cellulose like molecules, as a significant carbon repository along with some other inorganic impurities. The present work demonstrates the potential use of anaerobically treated fruit and vegetable waste (FVW) as a source of porous carbon for supercapacitor electrode materials. This work suggests that the FVW digestate can inherit silicon (Si) and calcium (Ca) based inorganic impurities, which play an essential role as structure directing agents for digestate derived carbon. These contaminants act as hard templates during carbonization to create hierarchical pores and contribute to an enhancement in surface area. Different batches from an anaerobic biogas digester plant are converted to porous carbon and examined as a potential supercapacitor electrode material. A maximum capacitance of 235 F g(-1) is achieved from DDHPC-4kh carbon with a specific surface area of 2502 m(2) g(-1) at a current density of 1 A g(-1) in an acidic aqueous electrolyte. The results are significant in comparison to other bio-sourced precursors studied previously.

}, doi = {10.1039/c9ra06603a}, author = {Chaturvedi, Vikash and Usangonvkar, Saurabh and Shelke, Manjusha V.} } @article {45499, title = {Synthesis of nanogate structure in GO-ZnS sandwich material}, journal = {Scientific Reports}, volume = {9}, year = {2019}, month = {JAN}, pages = {Article Number: 937}, type = {Article}, abstract = {

Graphite Oxide (multi-layer) composite with other materials has a huge application in various field of science, due to its excellent and unique properties. Even though from past decade, immense research has been done by materials scientists in this field, but the chemistry is still not yet satisfactory. Here, in this work, through the discovery of Nanogate structure, we have reported for the first time the experimental results that enlightened the clear chemistry between the GO and ZnS which is further supported by the DFT calculations. This novel synthesis method led to the discovery of nanogate structure sandwiched between the GO layers. The nanogate formation also shows enhanced properties for various applications like photocatalytic activities, etc. Due to the nanogate formation, there might be a possibility of enormous generation of electrons on excitation of the composite materials, which can be a boom for various applications like photocatalysis, water splitting, solar cell, etc.

}, issn = {2045-2322}, doi = {10.1038/s41598-018-37396-8}, author = {Kumar, Praveen and Luwang, Meitram Niraj} } @article {46314, title = {Synthesis of new 1,3,4-oxadiazole and benzothiazolylthioether derivatives of 4-arylmethylidene-3-substituted-isoxazol-5(4H)-one as potential antimycobacterial agents}, journal = {Medicinal Chemistry Research}, volume = {28}, year = {2019}, month = {NOV}, pages = {1873-1884}, type = {Article}, abstract = {

A new series of 4-[(substituted benzylidene)-3-[(5-(pyridine-4-yl)-1,3,4-oxadiazole-2-ylthio)-methyl]i soxazol-5(4H)-one (6a-g) and 4-(substituted benzylidene)-3-((benzo[d]thiazol-2-ylthio)methyl)isoxazol-5(4H)-one (8a-g) was synthesized. All the synthesized compounds were screened for antitubercular activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743) and antibacterial activity against Escherichia coli (NCIM 2576), Pseudomonas flurescence (NCIM 2059), Staphylococcus aureus (NCIM 2602), Bacillus subtilis (NCIM 2162). Amongst the synthesized 1,3,4-oxadiazole and benzothiazoyl thioether derivatives, compounds 6b and 8b showed excellent antimycobacterial activity and compounds 6b, 8a, 8b, and 8d showed excellent antibacterial activity against all tested antibacterial strains. The synthesized compounds were further evaluated for their cytotoxic activity against the HCT 116 and HeLa cancer cell lines. The 1,3,4-oxadiazole and benzothiazoyl thioether derivatives 6a-g and 8a-g did not show cytotoxicity.

}, keywords = {1, 3, 4-Oxadiazole, antibacterial activity, Antitubercular activity, Benzothiazol, Isoxazol-5(4H)-one, Thioeteher}, issn = {1054-2523}, doi = {10.1007/s00044-019-02420-7}, author = {Chavan, Abhijit P. and Deshpande, Rujuta R. and Borade, Nandkumar A. and Shinde, Abhijit and Mhaske, Pravin C. and Sarkar, Dhiman and Bobade, Vivek D.} } @article {46164, title = {Synthesis of ultrathin PEDOT on carbon nanotubes and shear thinning xanthan Gum-H2SO4 gel electrolyte for supercapacitors}, journal = {ChemElectroChem}, volume = {6}, year = {2019}, month = {MAR }, pages = {1861-1869}, type = {Article}, abstract = {

Resistance of the electrode material play a vital role for applications in supercapacitors, where lowering the resistance leads to improved performance. Poly(3,4-ethylene dioxythiophene) (PEDOT) possesses high theoretical conductivity; however, the high density of grain boundaries, low accessible surface area, and low rate capability have been pervasive issues affecting the PEDOT-based supercapacitors. To this end, a hydrothermal method is proposed in this work where oxygen functional groups incorporated on the surface of carbon nanotubes (CNTs) are utilized to polymerize 3,4-ethylenedioxythiophene (EDOT). PEDOT forms an ultrathin, well-aligned coating on the surface of CNTs. This arrangement minimizes the number of grain boundaries and increases the electrochemically active surface area. Additionally, a shear-thinning Xanthan gum-H2SO4 gel electrolyte is introduced to overcome the low impregnation of the conventional polyvinyl-based electrolyte due to the hydrophobicity of the CNT-PEDOT composite. A supercapacitor based on this material showed a very low Equivalent Series Resistance (ESR) of 0.31 which leads to a high power density of 74 W cm(-3).

}, keywords = {gel electrolyte, PEDOT, shear thinning, supercapacitor, xanthan gum}, issn = {2196-0216}, doi = {10.1002/celc.201801780}, author = {Soni, Roby and Bhange, Siddheshwar N. and Athira, E. and Chetry, Rashmi and Kurungot, Sreekumar} } @article {46804, title = {Salts and cocrystal of etodolac: advantage of solubility, dissolution, and permeability}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {JUL }, pages = {4512-4522}, type = {Article}, abstract = {

{Etodolac (ETD) is a nonsteroidal anti-inflammatory drug (NSAID) approved by the United States Food and Drug Administration (US-FDA) in 1991 for the treatment of rheumatoid arthritis. Because of its poor aqueous solubility and high permeability, ETD falls under Biopharmaceutics Classification System (BCS) Class II drug. The present study was aimed to screen stable salts and cocrystals of ETD using Generally Recognized as Safe (GRAS) and a few non-GRAS coformers. Crystallization of five salts (i.e.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.0c00313}, author = {Rai, Sunil K. and Allu, Suryanarayana and Nangia, Ashwini K.} } @article {46634, title = {Scalable synthesis of 3-Ethyl-4-methyl-1,5-dihydro-2H-pyrrol-2-one: an important building block of the antidiabetic drug glimepiride}, journal = {Synthesis-Stuttgart}, volume = {52}, year = {2020}, month = {NOV}, pages = {3480-3484}, type = {Article}, abstract = {

A four-step, practical, and easily scalable synthesis of 3-ethyl-4-methyl-1,5-dihydro-2H-pyrrol-2-one, an important building block of the antidiabetic drug glimepiride, has been accomplished. Key features are the synthesis of 3-methyl-4-hydroxy-2-butenolide in water and triflic acid mediated N-benzyl lactam N-deprotection. The main advantages of this process are the scalable synthetic route and decreased number of reaction steps, which paves the way for the industrial-scale synthesis of 3-ethyl-4-methyl-1,5-dihydro-2H-pyrrol-2-one.

}, keywords = {antidiabetic drug, Butenolide, glimepiride, lactams, scalable synthesis}, issn = {0039-7881}, doi = {10.1055/s-0040-1707344}, author = {Chavan, Subhash P. and Pawar, Ambaji A. and Patil, Niteen B. and Kadam, Appasaheb L. and Shinde, Shrikrishna S.} } @article {46664, title = {Scalable synthesis of manganese-doped hydrated vanadium oxide as a cathode material for aqueous zinc-metal battery}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {OCT }, pages = {48542-48552}, type = {Article}, abstract = {

Rechargeable aqueous zinc-metal batteries (ZMBs) are considered as potential energy storage devices for stationary applications. Despite the significant developments in recent years, the performance of ZMBs is still limited due to the lack of advanced cathode materials delivering high capacity and long cycle life. In this work, we report a low-temperature and scalable synthesis method following a surfactant-assisted route for preparing manganese-doped hydrated vanadium oxide (MnHVO-30) and its application as the cathode material for ZMB. The as-prepared material possesses a porous architecture and expanded interlayer spacing. Therefore, the MnHVO-30 cathode offers fast and reversible insertion of Zn2+ ions during the charge/discharge process and delivers 341 mAh g(-1) capacity at 0.1 A g(-1). Moreover, the MnHVO-30 parallel to Zn cell retains 82\% of its initial capacity over 1200 stability cycles, which is higher compared to that of the undoped system. Besides, a quasi-solid-state home-made pouch cell with an area of 3.3 x 1.6 cm(2) and 3.6 mg cm(-2) loading is assembled, achieving 115 mAh g(-1) capacity over 100 stability cycles. Therefore, this work provides an easy and attractive way for preparing efficient cathode materials for aqueous ZMBs.

}, keywords = {anionic surfactant, hydrated vanadium pentoxide, Nafion ionomer membrane, post-lithium battery, quasi-solid-state battery}, issn = {1944-8244}, doi = {10.1021/acsami.0c13221}, author = {Ghosh, Meena and Dilwale, Swati and Vijayakumar, Vidyanand and Kurungot, Sreekumar} } @article {46808, title = {Screening of zero valent mono/bimetallic catalysts and recommendation of Raney Ni (without reducing agent) for dechlorination of 4-chlorophenol}, journal = {Chemosphere}, volume = {250}, year = {2020}, month = {JUL}, pages = {126298}, type = {Article}, abstract = {

Chlorophenol (CP) is considered as environmentally hazardous material due to its acute toxicity, persistent nature and strong bioaccumulation. The dechlorination of 4-CP was investigated by using various catalysts such as bimetallic (Fe-0/Cu-0, Al-0/Fe-0), Pd/C, Raney Ni and Fe-0 at room temperature. Among the catalysts studied, Raney Ni proved to be very economical and efficient catalyst that worked without the use of an external reducing agent. The dechlorination of 4-CP by Raney Ni was therefore further explored. Complete dechlorination of 4-CP (30 mg L-1) was achieved in 6 hat an optimum Raney Ni catalyst loading of 3 g L-1. The effect of triethylamine (TEA) and tripropylamine (TPA) was also investigated and it was observed that 100\% dechlorination is possible in presence of 45 mg L-1 of TEA. The kinetics of dechlorination of 4-CP was investigated and found to be first order with a rate constant of 0.017 min(-1) at 50 degrees C, and it enhances to 0.109 min(-1) with addition of TEA. In the absence of a reducing agent, acidic to neutral pH favors dechlorination of 4-CP. The final product of dechlorination was estimated to be phenol by performing HPLC, LCMS and NMR analysis. Based on the results, a probable dechlorination mechanism of 4-CP is also proposed. It can be concluded that the catalytic hydrodechlorination is an effective and economical technique for dechlorination of 4-CP and it has a potential for the dechlorination of other toxic derivatives of chlorinated aromatics. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {4-Chlorophenol, Cl- scavenger, Hydrodechlorination, Raney Ni, Recycling of catalyst, Without reducing agent}, issn = {0045-6535}, doi = {10.1016/j.chemosphere.2020.126298}, author = {Raut, Sandesh S. and Shetty, Rohit and Raju, Nikhi Maria and Kamble, Sanjay P. and Kulkarni, Prashant S.} } @article {47007, title = {Selective, bifunctional Cu-WOx/Al2O3 catalyst for hydrodeoxygenation of fatty acids}, journal = {Catalysis Science \& Technology}, volume = {10}, year = {2020}, month = {JAN }, pages = {268-277}, type = {Article}, abstract = {

Selective hydrodeoxygenation of oleic acid (OA; in a batch reactor, at 300 degrees C, 30 bar H-2 pressure, reaction time of 1 h and reactant-to-catalyst weight ratio of 2 g OA/0.2 g) forming n-octadecane in yields as high as 93\% over a non-noble metal, sulfur-free, bimetallic Cu-WOx/Al2O3 catalyst is reported for the first time. Several Cu-WOx/Al2O3 compositions were prepared by a sequential wet-impregnation method and evaluated. A catalyst with 10 wt\% Cu and 4 wt\% W enabled the highest activity and selectivity. Upon adding WOx, the amount of moderate and strong acid sites increased and more Cu in the catalyst was in reduced electron-rich metallic (Cu-0) state. The crystallite size and dispersion of Cu were little affected. WOx promoted the fatty acid hydrodeoxygenation activity of Cu. While a monometallic Cu catalyst (10Cu/Al2O3) yielded n-octadecane and n-heptadecane along with high amounts of intermediate octadecanol and octadecanal products, the bimetallic catalyst (10Cu-4WO(x)/Al2O3) gave mainly n-octadecane. Acidity and the high amount of reduced Cu-0 species are responsible for the high catalytic hydrodeoxygenation performance of this bimetallic catalyst.

}, issn = {2044-4753}, doi = {10.1039/c9cy01939a}, author = {Janampelli, Sagar and Sethia, Govind and Darbha, Srinivas} } @article {46812, title = {Selective monoalkylation of hydroquinone in the presence of SO3H-functionalized ionic liquids as catalysts}, journal = {Chemical Papers}, volume = {74}, year = {2020}, month = {DEC}, pages = {4461-4471}, type = {Article}, abstract = {

A process aiming atO-alkylation of hydroquinone (HQ), where ionic liquids (ILs) act as catalyst is objectively described. Five SO3H-functionalized ILs having different cations were prepared and characterized by NMR and FTIR techniques. The acidity and thermal stability of ILs were determined by Hammett function and thermogravimetric analysis (TGA), respectively. The catalytic activity of these ILs were tested forO-alkylation of HQ with methanol in 4-methoxyphenol (4MP) in the presence of small amount of benzoquinone (BQ). The effect of reaction parameters such as temperature, time, catalyst loading and substrate concentration on the conversion of HQ and product distribution was examined and optimized to maximize the yield of 4MP using 1,3-disulfonic acid imidazolium hydrogen sulfate (IL2) catalyst. Maximum yield of desired product 4MP 93.79\% was obtained at 338 K temperature, 5.45 x 10(-2) mol HQ, 8.33 x 10(-3) mol BQ, and 10.37 mol\% catalyst loading in 120 min reaction time. Single-product formation was observed up to 338 K temperature but higher temperature (above 338 K) and longer reaction time resulted in the formation of 2,4-dimethoxyphenol (24DMP) as a by-product. Catalyst recyclability was also established up to the fifth run which showed no declination in its activity.

}, keywords = {4-Methoxyphenol, Benzoquinone, Hydroquinone, ionic liquids, O-alkylation}, issn = {2585-7290}, doi = {10.1007/s11696-020-01230-1, Early Access Date = JUN 2020}, author = {Bhongale, Priyanka V. and Joshi, Sunil S. and Mali, Nilesh A.} } @article {46906, title = {Selectivity engineering of Meerwein arylation in a continuous flow reactor: a modelling approach}, journal = {Reaction Chemistry \& Engineering}, volume = {5}, year = {2020}, month = {APR }, pages = {736-746}, type = {Article}, abstract = {

This paper presents a methodology for selectivity engineering of Meerwein arylation in a flow reactor. The reaction was optimized in batch mode and reaction kinetics were obtained over a range of temperatures and catalyst concentrations. A lumped kinetic model was formulated and the parameters were estimated using nonlinear regression. Furthermore, telescopic flow synthesis for Meerwein arylation via in situ diazonium salt generation and coupling was demonstrated. A non-isothermal model was developed and experimentally validated. The effect of initial concentration and inlet temperature on the yield of the desired product was estimated for various catalyst concentrations. The results from the simulations in terms of nondimensional numbers were used to find suitable operating conditions for Meerwein arylation.

}, issn = {2058-9883}, doi = {10.1039/c9re00477g}, author = {Shukla, Chinmay A. and Atapalkar, Ranjit S. and Kulkarni, Amol A.} } @article {46833, title = {Self-assembled helical arrays for the stabilization of the triplet state}, journal = {Angewandte Chemie-International Edition}, volume = {59}, year = {2020}, month = {JUL}, pages = {13079-13085}, type = {Article}, abstract = {

Room-temperature phosphorescence of metal and heavy atom-free organic molecules has emerged as an area of great potential in recent years. A rational design played a critical role in controlling the molecular ordering to impart efficient intersystem crossing and stabilize the triplet state to achieve room-temperature ultralong phosphorescence. However, in most cases, the strategies to strengthen phosphorescence efficiency have resulted in a reduced lifetime, and the available nearly degenerate singlet-triplet energy levels impart a natural competition between delayed fluorescence and phosphorescence, with the former one having the advantage. Herein, an organic helical assembly supports the exhibition of an ultralong phosphorescence lifetime. In contrary to other molecules, 3,6-phenylmethanone functionalized 9-hexylcarbazole exhibits a remarkable improvement in phosphorescence lifetime (\>4.1 s) and quantum yield (11 \%) owing to an efficient molecular packing in the crystal state. A right-handed helical molecular array act as a trap and exhibits triplet exciton migration to support the exceptionally longer phosphorescence lifetime.

}, keywords = {carbazole, helicity, phenylmethanone, ultralong phosphorescence, waveguiding}, issn = {1433-7851}, doi = {10.1002/anie.202005105, Early Access Date = JUN 2020}, author = {Nidhankar, Aakash D. and Goudappagouda and Kumari, Divya S. Mohana and Chaubey, Shailendra Kumar and Nayak, Rashmi and Gonnade, Rajesh G. and Kumar, G. V. Pavan and Krishnan, Retheesh and Babu, Sukumaran Santhosh} } @article {46976, title = {Self-assembly of bispentadecylphenol substituted perylenediimide with PS-b-P4VP for structure-property insight into the core of core-shell micelles}, journal = {ACS Applied Polymer Materials}, volume = {2}, year = {2020}, month = {FEB}, pages = {805-816}, type = {Article}, abstract = {

We report the use of a ditopic molecular probe bispentadecylphenol substituted perylenediimide (PBI-PDP) to examine the molecular level self-assembly of polystyrene-b-poly(4-vinylpyridine) (PS-b-P4VP) in tetrahydrofuran (THF). A series of complexes were prepared between PS-b-P4VP copolymers with varying lengths of the 4-vinylpyridine chain and PBI-PDP. Light scattering and NMR spectroscopic studies reveal that the self-assembled structures of the solid complexes are not fully disrupted when the complexes are dissolved in THF. NMR experimental parameters measured for the small probe molecule provide detailed insights into the structure of the assemblies in solution as well as the interaction between the small molecule and the block copolymer. Such insights can have important implications in manipulating the nanostructure of block copolymer micelles to suit various application requirements. The dynamics and distribution of the PBI-PDP molecules within the assemblies in solution show a dependence on the length of the P4VP block. Transmission electron microscopy was employed to study the evolution of morphologies in films prepared from the self-assembled structures in THF solutions.

}, keywords = {core corona interface, ditopic molecular probe, environment, micelles, perylenediimide, PS-b-P4VP, Self-assembly}, issn = {2637-6105}, doi = {10.1021/acsapm.9b01099}, author = {Roy, Moumita and Rajamohanan, Pattuparambil R. and Ravindranathan, Sapna and Asha, S. K.} } @article {46781, title = {Self-assembly of novel Fmoc-cardanol compounds into hydrogels - analysis based on rheological, structural and thermal properties}, journal = {Soft Matter}, volume = {16}, year = {2020}, month = {JUL }, pages = {6294-6303}, type = {Article}, abstract = {

Hydrogels of low molecular weight molecules are particularly appealing for various biomedical applications such as drug delivery, tissue engineering, and antitumor therapy due to their excellent biocompatibility, biodegradability, and easy availability. Fmoc-peptide hydrogels form an essential category of these hydrogels. Herein we report a new class of Fmoc hydrogels in which cardanol (3-pentadecyl phenol (PDP)) is covalently linked with fluorenylmethyloxycarbonyl group. Cardanol is a plant-based renewable raw material, readily obtained from Cashew Nut Shell Liquid (CNSL). The long aliphatic chain of pentadecyl phenol helps in bringing a structural incompatibility and generates different nanostructures such as nanospheres, nanotapes, and nanofibers depending on Fmoc substitution and the solvents used. Stable hydrogels were formed from Fmoc-PDP in DMSO/H2O, and the critical aggregation concentration (CAC) and critical gelation concentration (CGC) were determined. The role of non-covalent forces such as hydrogen-bonding, hydrophobicity, and pi-pi stacking interactions in governing self-assembly to hydrogel formation was studied for Fmoc, DiFmoc and Boc groups attached to PDP. The thermal properties were analyzed, and smectic and nematic phases were identified for the molecules depending on the substitutions involved. Overall the study supports the mechanisms of aggregation and gelation in novel Fmoc-cardanol derivatives.

}, issn = {1744-683X}, doi = {10.1039/d0sm00670j}, author = {Kadeeja, Aliya and Joseph, Seena and Abraham, Jancy Nixon} } @article {46959, title = {Shape resonance of sulphur dioxide anion excited states using the CAP-CIP-FSMRCCSD method}, journal = {Molecular Physics}, volume = {118}, year = {2020}, month = {AUG }, type = {Article}, abstract = {

We have studied the shape resonance of excited states of sulphur dioxide (SO2) anion by using the correlated independent particle Fock space multi-reference coupled cluster (CAP-CIP-FSMRCCSD) method augmented by complex absorption potential. These resonant states have been trapped experimentally in recent years by electron collision. In particular, we have investigated e(-)-SO2 scattering and computed the negative-ion resonance states of the anion responsible for the two resonances around 4.45 and 6.56 eV and compared the results with the existing experimental observations. From the computational results using the CAP-CIP-FSMRCCSD method, it has been observed that both the resonances near 4.45 and 6.56 eV result from A(1) symmetries. [GRAPHICS] .

}, keywords = {CAP augmented correlated independent particle (CAP-CIP-FSMRCCSD), complex absorption potential (CAP), coupled cluster, Fock space multireference coupled cluster (FSMRCCSD), shape resonance}, issn = {0026-8976}, doi = {10.1080/00268976.2020.1726521, Early Access Date = FEB 2020}, author = {Basumallick, Suhita and Bhattacharya, Sumantra and Jana, Irina and Vaval, Nayana and Pal, Sourav} } @article {46823, title = {"Shape-coding{\textquoteright}{\textquoteright}: morphology-based information system for polymers and composites}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {JUN}, pages = {27555-27561}, type = {Article}, abstract = {

Fiber-reinforced composites have become the material of choice for aerospace structures because of their favorable strength-to-weight ratio. Given the increasing amounts of counterfeit composite parts showing up in the complex aerospace supply chain, it is absolutely vital to track a composite part throughout its lifecycle-from production to usage and to disposal. Existing barcoding methods are invasive, affect the structural properties of composites, and/or are vulnerable to tampering. We describe a universal method to store information in fiber-reinforced composites based on solid-state in situ reduction leading to embedded nanoparticles with controlled morphologies. This simple, cost-effective, mild, surfactant-free, and one-step protocol for the fabrication of embedded platinum nanostructures leads to morphology-based barcodes for polymeric composites. We also describe a coding methodology wherein a 1 x 1 cm code can represent 3.4 billion parts to 95 trillion parts, depending on the resolution required along with access to morphology-based chemical encryption systems.

}, keywords = {barcoding chemical encryption, epoxy composites, nanoparticle morphology control, solid-state synthesis}, issn = {1944-8244}, doi = {10.1021/acsami.0c05314}, author = {Pansare, V, Amol and Chhatre, Shraddha Y. and Khairkar, Shyam R. and Bell, Jeffrey G. and Barbezat, Michel and Chakrabarti, Subhananda and Nagarkar, Amit A.} } @inbook {47320, title = {Shape-controlled metal oxides for selective catalytic oxidation}, booktitle = {Advanced Heterogeneous Catalysts Volume 1: Applications at the Nano-Scale}, year = {2020}, pages = {291-318}, publisher = {Publisher: American Chemical Society}, organization = {Publisher: American Chemical Society}, abstract = {

Some of industrial processes involve selective oxidation reactions that include the use of corrosive and nonbenign oxidants and solvents. Many metal oxide-based catalysts have been reported for selective oxidation processes, and they exhibit a range of activities compared to homogeneous protocols and current practices. To bridge the gap between homogeneous and heterogeneous catalysis in terms of activity and selectivity and move toward green oxidation processes, this chapter discusses the shape-controlled synthesis of a selected range of metal oxides and their applications in selective catalytic oxidation reactions. This chapter also discusses some of the interesting micro- and nanostructured materials used in these reactions, as well as the roles of exposed predominant facets, defects, and other features and their effects on catalysis. Oxides of Mn, Co, Ce, Cu, Fe, La, and some combinations thereof are presented. Chemical reactions such as the selective oxidations of alcohol, ethyl benzene, styrene, xylene, and 5-hydroxymethylfurfural and the preferential oxidation of CO are also discussed.

}, doi = {10.1021/bk-2020-1359.ch010}, author = {Burange, Anand S. and Gopinath, Chinnakonda} } @article {47025, title = {Short review of synthetic routes for the antiepileptic drug (R)-lacosamide}, journal = {Organic Process Research \& Development}, volume = {24}, year = {2020}, month = {JAN}, pages = {17-24}, type = {Review}, abstract = {

The disease epilepsy affects people of all ages and is due to a chronic neurological disorder in the brain. According to a report by the World Health Organization, epilepsy is one of the most common global neurological diseases. (R)-Lacosamide (Vimpat) was introduced by UCB Pharma in 2008 for the treatment of partial-onset seizures in patients suffering from epilepsy. This review summarizes all of the available synthetic strategies reported for (R)-lacosamide, which will help medicinal chemists in the further development of its synthesis.

}, keywords = {antiepileptic drug, epilepsy, lacosamide, serine derivative, synthesis}, issn = {1083-6160}, doi = {10.1021/acs.oprd.9b00373}, author = {Aratikatla, Eswar K. and Bhattacharya, Asish K.} } @article {46882, title = {Shotgun metagenome guided exploration of anthropogenically driven resistomic hotspots within Lonar soda lake of India}, journal = {Ecotoxicology and Environmental Safety}, volume = {194}, year = {2020}, month = {MAY}, pages = {110443}, type = {Article}, abstract = {

Anthropogenic activities mediated antibiotic resistance genes (ARGs) in the pristine aquatic bodies (lakes) is raising concern worldwide. Long read shotgun sequencing was used to assess taxonomic diversity, distribution of ARGs and metal resistance genes (MRGs) and mobile genetic elements (MGEs) in six sites within hypersaline Lonar soda lake (India) prone to various anthropogenic activities. Proteobacteria and Euryarchaeota were dominant phyla under domain Bacteria and Archaea respectively. Higher abundance of Bacteroidetes was pragmatic at sites 18LN5 and 18LN6. Functional analysis indicated 26 broad-spectrum ARGs types, not reported earlier in this ecosystem. Abundant ARG types identified were multidrug efflux, glycopepetide, bacitracin, tetracycline and aminogylcoside resistance. Sites 18LN1 and 18LN5 depicted 167 and 160 different ARGs subtypes respectively and rpoB2, bcrA, tetA(48), mupA, ompR, patA, vanR and multidrug ABC transporter genes were present in all samples. The rpoB2 gene was dominant in 18LN1, whereas bcrA gene in 18LN2-18LN6 sites. Around 24 MRGs types were detected with higher abundance of arsenic in 18LN1 and copper in 18LN2-18LN6, signifying metal contamination linked to MRGs. The bacterial taxa Pseudomonas, Thioalkalivibrio, Burkholderia, Clostridium, Paenibacillus, Bacillus and Streptomyces were significantly associated with ARGs. This study highlights the resistomic hotspots in the lake for deploying policies for conservation efforts.

}, keywords = {ARGs, diversity, Lonar lake, MGEs, MRGs, Nanopore sequencing}, issn = {0147-6513}, doi = {10.1016/j.ecoenv.2020.110443}, author = {Chakraborty, Jaya and Sapkale, Vibhavari and Rajput, Vinay and Shah, Manan and Kamble, Sanjay and Dharne, Mahesh} } @article {46749, title = {Silk fibroin 3D microparticle scaffolds with bioactive ceramics: chemical, mechanical, and osteoregenerative characteristics}, journal = {Advanced Engineering Materials}, volume = {22}, year = {2020}, month = {DEC}, pages = {2000458}, type = {Article}, abstract = {

Preparation of 3D scaffolds for bone tissue engineering (BTE) is a challenging task as it requires appropriate pore size and porosities, mechanical properties, and controlled bioerosion rate. The focus of this work is the fabrication of silk fibroin (SF) 3D microparticle scaffolds with the incorporation of hydroxyapatite (HA) and calcium sulfate (CaS) as bioceramics. Physicochemical characterization shows approximate to 30\% filler loading and approximate to 40\% optimum porosity with \>100 mu m pore size for these filled/unfilled scaffolds. Nanoindentation studies show improved Young{\textquoteright}s modulus at microparticle level with the incorporation of bioceramics. SF-HA scaffolds showed three fold increase in Young{\textquoteright}s modulus, whereas SF-CaS showed two fold increase. In vitro bioerosion study results in early bioerosion with SF-CaS scaffold, whereas prolonged bioerosion with SF-HA scaffold. In vitro osteoregenerative potential is analyzed by estimating alkaline phosphatase (ALP), bone morphogenetic protein-2 (BMP-2), and osteocalcin (OCN). SF CaS supports early stage differentiation while SF 50\% HA predominantly supports late stage. The expression of TNF-alpha suggests a reduced risk of immune rejection. This work, therefore, concludes that although SF supports bone tissue regeneration, the choice of bioceramic enhances the applicability in various clinical scenarios by providing a controlled bioerosion rate, tunable speed of osteoregeneration, and improved load bearing capacities.

}, keywords = {bioceramics, bioerosion, osteogenic differentiation, Silk fibroin, stem cells}, issn = {1438-1656}, doi = {10.1002/adem.202000458, Early Access Date = AUG 2020}, author = {Parekh, Nimisha A. and Deshpande, V. Rucha and Shukla, Swati G. and Nisal, Anuya A.} } @article {46608, title = {Silver-catalyzed cascade cyclization/1,6-conjugate addition of homopropargyl sulfonamides to p-quinone methides: an approach to diverse 3-diarylmethine substituted dihydropyrroles}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {DEC }, pages = {15038-15050}, type = {Article}, abstract = {

A silver-catalyzed cycloisomerization/1,6-conjugate addition of homopropargyl sulfonamides to p-quinone methides to access diverse diarylmethine substituted dihydropyrroles has been disclosed. The reaction pathway involves an intramolecular cascade cyclization of homopropargyl sulfonamides to generate a highly reactive dihydropyrrole intermediate in situ followed by conjugate addition with p-quinone methides. This method provides an efficient and scalable route for the synthesis of 3-diarylmethine substituted dihydropyrroles, in one pot.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c01922}, author = {Shirsath, Sachin R. and Ghotekar, Ganesh S. and Bahadur, Vir and Gonnade, Rajesh G. and Muthukrishnan, M.} } @article {47784, title = {Simultaneous determination of anthraquinone, flavonoids, and phenolic antidiabetic compounds from cassia auriculata seeds by validated UHPLC based MS/MS method}, journal = {Mass Spectrometry Letters}, volume = {11}, year = {2020}, month = {DEC}, pages = {82-89}, type = {Article}, abstract = {A systematic isolation and characterization study for Cassia auriculata (CA) seeds resulted in identifying antidiabetic compounds 1,3,8-trihydroxyanthraquinone and quercetin, quercetin-3-O-rutinoside, gallic acid, caffeic acid, ferulic acid, and ellagic acid. The ultra-high-performance liquid chromatography based triple quadrupole mass spectrometry methodology was developed and validated for simultaneous identification and confirmation of these compounds from CA seeds. Multiple reaction monitoring (MRM) based quantification method was developed with MRM optimizer software for MS1 and MS2 mass analysis. The method was optimized on precursor ions and product ions with the ion ratio of each compound. The calibration curves of seven bioactive analytes showed excellent linearity (r2 >= 0.99). The quantitation results found precise (RSD, < 10 \%) with good recoveries (84.58 to 101.42\%). The matrix effect and extraction recoveries were found within the range (91.66 to 102.11\%) for the CA seeds. This is the first MS/MS-based methodology applied to quantifying seven antidiabetic compounds in CA seeds and its extract for quality control purposes.}, doi = {10.5478/MSL.2020.11.4.82}, author = {Girme, Aboli and Saste, Ganesh and Chinchansure, Ashish and Joshi, Swati and Kunkulol, Rahul and Hingorani, Lal and Patwardhan, Bhushan} } @article {47137, title = {Simultaneous identification and estimation of glycyrrhizin, glabridin, and 18β-glycyrrhetinic acid in de-glycyrrhized Ayurvedic lipid-based formulation of Glycyrrhiza glabra using dual wavelength reverse phase-high-performance liquid chromatography }, journal = {Separation Science Plus}, volume = {3}, year = {2020}, month = {AUG}, pages = {460-471}, abstract = {

Plant-based Ayurvedic formulations such as medicated oils, confectioneries, etc. are developed with a rationale of selecting specific compounds for targeted action and minimal side effects. It is imperative to develop an analytical method to simultaneously identify and quantify the targeted compounds for good resolution with low retention time. The present assay using reverse phase-high-performance liquid chromatography is optimized to resolve glycyrrhizin, glabridin, and 18β-glycyrrhetinic acid simultaneously at retention times of 6.6, 8.1, and 10.2\ min, respectively, using acidified mobile phase from Glycyrrhiza glabra utilized in Ayurvedic lipid (cow{\textquoteright}s ghee and sesame oil) based formulations. Raw material, its decoction, and residues formed during preparation steps were extracted in methanol while lipid formulations were extracted using a binary solvent system of methanol and n-hexane. The separation was performed on Hypersil gold column maintained at 40{\textdegree}C using 0.2\% ortho-phosphoric acid with pH 3.5 in water and acetonitrile as binary gradient mobile phase. The compounds were detected at wavelengths 230 (glabridin) and 254 (glycyrrhizin and 18β-glycyrrhetinic acid) nm. The method revealed de-glycyrrhized finished products containing glabridin and 18β-glycyrrhetinic acid having medicinal value.

}, doi = {10.1002/sscp.202000015}, author = {Kumbhalkar, Bhagyashri and Walunj, Tanhaji and Chavan, Sandeep and Gupta, Vidya and Deshmukh, Vineeta and Sardeshmukh, Sadanand} } @article {46701, title = {Site speci fic nitrogen incorporation in reduced graphene oxide using imidazole as a novel reducing agent for ef ficient oxygen reduction reaction and improved supercapacitive performance}, journal = {Carbon}, volume = {166}, year = {2020}, month = {SEP }, pages = {361-373}, type = {Article}, issn = {0008-6223}, doi = {10.1016/j.carbon.2020.05.011}, author = {Roy, Dipayan and Sarkar, Saikat and Bhattacharjee, Kaustav and Panigrahi, Karamjyoti and Das, Bikram Kumar and Sardar, Kausik and Sarkar, Sourav and Chattopadhyay, Kalyan Kumar} } @article {46897, title = {Solid catalysts for conversion of furfural and its derivatives to alkanediols}, journal = {Catalysis Reviews-Science and Engineering}, volume = {62}, year = {2020}, month = {OCT }, pages = {566-606}, type = {Review}, abstract = {

Alkanediols with five and six carbon atoms (1,2- \& 1,5-pentanediols and 1,2- \& 1,6-hexanediols, respectively) are an important class of industrial chemicals having wide application. Their production from lignocellulosic biomass-derived furfural and its derivatives using solid catalysts is a sustainable and attractive approach. Several bifunctional catalysts with metal (for hydrogenation/hydrogenolysis) and acid/base (for ring opening) functionalities have been reported. Effective and selective conversion of furfurals to a desired diol is still a challenge. This review discusses the recent advances in catalyst development for pentane- and hexanediols. The reaction pathways, active sites, and possible reaction mechanisms over the solid catalysts are discussed. A comparative catalytic activity data of the known catalysts are reported.

}, keywords = {5-hydroxymethylfurfural (HMF), Alkanediol, furfural (FAL), hexanediol, pentanediol, solid catalyst}, issn = {0161-4940}, doi = {10.1080/01614940.2020.1744327, Early Access Date = APR 2020}, author = {Enjamuri, Nagasuresh and Darbha, Srinivas} } @article {46652, title = {Solution-phase hybrid passivation for efficient infrared-band gap quantum dot solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {NOV }, pages = {49840-49848}, type = {Article}, abstract = {

The broad tunability of the energy band gap through size control makes colloidal quantum dots (QDs) promising for the development of photovoltaic devices. Large-size lead sulfide (PbS) QDs, exhibiting a narrow energy band gap, are particularly interesting as they can be used to augment perovskite and c-Si solar cells due to their complementary NIR absorption. However, their complex surface chemistry makes them difficult to process for the development of solar cells. The shape of the QDs transformed from octahedron to cuboctahedron as their size increases, a phenomenon guided by surface energy minimization. As a result, the surface properties change drastically for large-size QDs, which exhibit nonpolar (200) facets and polar (111) facets, as opposed to only (111) facets in small-size QDs. Recent advancements in solution-phase surface passivation strategies, used for the development of high-performance solar cells using the small size and wide band gap QDs, failed to translate a similar enhancement in the case of large-size and narrow band gap QDs. Here, we report a hybrid passivation strategy for large-size and narrow band gap QDs to passivate both (111) and (200) facets, respectively, using inorganic lead triiodide (PbI3-) and organic 3-chloro-1-propanethiol (CPT). By employing charge balance calculation, we identified the desired narrow band gap for QDs to complement the perovskite and c-Si absorption. The distinct choice of the organic ligand CPT enhances the colloidal stability of QDs in the solution phase and improves surface passivation to stop QD fusion in solid films. Photophysical properties show narrower excitonic and emission peaks and a reduction in the Stokes shift. Hybrid passivation leads to a 94\% increase in the power conversion efficiency of solar cells and a 74\% increase in the external quantum efficiency at the excitonic peak.

}, keywords = {infrared band gap, polydispersity, quantum dot, solar cells, surface passivation, trap states}, issn = {1944-8244}, doi = {10.1021/acsami.0c15703}, author = {Mahajan, Chandan and Sharma, Ashish and Rath, Arup K.} } @article {46678, title = {Solvent extraction of butanol from synthetic solution and fermentation broth: batch and continuous studies}, journal = {Separation and Purification Technology}, volume = {249}, year = {2020}, month = {OCT}, pages = {117058}, type = {Article}, abstract = {

Product recovery is one of the essential finishing steps to any commercial fermentation process. In acetone-butanol-ethanol (ABE) fermentation, butanol recovery is quite tedious mainly due to dilute product and multiple byproduct formation in complex media. Among different recovery methods, extraction has attracted considerable attention in biofuel recovery owing to its high selectivity, low energy consumption, and ease of operation. In present work, the butanol extraction performance from synthetic solvent mixture containing ABE was tested in batch and continuous operations using 20\% (v/v) decanol in oleyl alcohol. The optimized extraction conditions were then validated using actual fermentation broth to confirm effectiveness of the extraction operation. The distribution coefficient (K-d) and batch extraction efficiency (E) were in the range of 5.60-9.80 and 87.70-86.90\% for fermentation broth and synthetic solution, respectively for a given initial concentration of butanol in the aqueous phase. Further, E was relatively improved by supplementing different inorganic salts. Sodium hydroxide (5\%, w/v) was highly effective to recover butanol from fermentation broth (E similar to 97.70\%) with K-d of 33.10. Besides, the continuous counter current extraction of butanol in a packed column was performed. The volumetric mass transfer coefficient (kLa) was estimated to be 0.025 1/min at an optimized superficial velocity of the aqueous phase (0.28 cm/min) and sodium hydroxide concentration (5\%, w/v). Height of the extraction column was estimated to be 28.32 cm using height of transfer unit (HTU) and number of transfer unit (NTU) concept for extraction efficiency of 97.20\%. Overall, the present study has demonstrated an enhanced extraction efficiency of butanol from fermentation broth.

}, keywords = {Biobutanol, Equilibrium stages, Height of transfer unit, liquid-liquid extraction, mass transfer coefficient, Number of transfer unit}, issn = {1383-5866}, doi = {10.1016/j.seppur.2020.117058}, author = {Khedkar, Manisha A. and Nimbalkar, Pranhita R. and Gaikwad, Shashank G. and Chavan, V, Prakash and Bankar, Sandip B.} } @article {46635, title = {Solvent-less solid state synthesis of dispersible metal and semiconducting metal sulfide nanocrystals (vol 6, pg 12006, 2018)}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {8}, year = {2020}, month = {NOV}, pages = {17000}, type = {Correction}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.0c07891}, author = {Bera, Abhijit and Busupalli, Balanagulu and Prasad, Bhagavatula L. V.} } @article {46715, title = {Spectroscopic evidences for the size dependent generation of pd species responsible for the low temperature CO oxidation activity on Pd-SBA-15 nanocatalyst}, journal = {Applied Catalysis B-Environmental}, volume = {272}, year = {2020}, month = {SEP }, pages = {118934}, type = {Article}, abstract = {

A comprehensive size dependent CO oxidation activity has been demonstrated for Pd-SBA-15 catalysts with Pd NPs of varying sizes such as 1-2, 4-6 and 7-10 nm. Pd-SBA-15 catalyst with smallest sized NPs (Pd-S-N) has been synthesized by modified deposition precipitation method recently developed in our lab. Pd-S-N catalyst (reduced at 400 degrees C) demonstrated CO oxidation activity with lower light off temperature (50 degrees C), clearly one of the best reported for a Pd-silica system. A detailed XPS and in-situ DRIFTS analyses further supported by XAS and DFT calculations reveal the presence of easily decomposable highvalent Pd-oxide on co-ordinatively unsaturated Pd sites (Pdcus). Weak binding of CO on Pdcus sites in small Pd NPs leaving sites for oxygen activation is attributed to the low temperature activity of Pd-S-N for CO oxidation.

}, keywords = {CO oxidation, high-valent Pd species, Pd nanoparticles, SBA-15, under coordinated Pd atoms}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2020.118934}, author = {Soni, Yogita and Pradhan, Sumanta and Bamnia, Mahesh K. and Yadav, A. K. and Jha, S. N. and Bhattacharyya, D. and Khan, Tuhin Suvra and Haider, M. A. and Vinod, C. P.} } @proceedings {47327, title = {Spectroscopic probe of atomically thin domains of CVD-grown MoSe2}, volume = {2265}, year = {2020}, month = {NOV}, publisher = {AIP}, abstract = {
Since the discovery of graphene, two-dimensional Layered Transition Metal Dichalcogenides (TMDCs) such as MoS2, MoSe2, and WS2\ having a tunable bandgap, have emerged as one of the most stable classes of materials making them attractive for various applications. We have investigated the growth mechanism and shape evolution of various domains of CVD-grown MoSe2\ on insulating substrates by spectroscopic techniques. The different morphologies were analyzed using Raman and photoluminescence spectroscopies. The transformation from the precursor MoO3\ to MoSe2\ is found to depend on a number of growth parameters and experimental conditions.

}, doi = {10.1063/5.0017096}, author = {Singh, Vineeta and Late, Dattatray J. and Rath, Shyama} } @article {46815, title = {Sphingomyelin effects in caveolin-1 mediated membrane curvature published as part of the journal of physical chemistry virtual special issue {\textquoteleft}{\textquoteleft}computational and experimental advances in biomembranes{\textquoteright}{\textquoteright}}, journal = {Journal of Physical Chemistry B}, volume = {124}, year = {2020}, month = {JUN}, pages = {5177-5185}, type = {Article}, abstract = {

The caveolin-1 (cav-1) protein is an integral component of caveolae and has been reported to colocalize with cholesterol and sphingomyelin-rich curved membrane domains. Here, we analyze the molecular interactions between cav-1 and sphingomyelin containing bilayers using a series of coarse-grain simulations, focusing on lipid clustering and membrane curvature. We considered a palmitoylated-cav-1 construct interacting with phospholipid/cholesterol membranes with asymmetrically distributed sphingomyelin, varying between 5 and 15\% in total. We observe that cav-1 binds to the intracellular leaflet and induces a small positive curvature in the leaflet to which it is bound and an opposing negative curvature in the extracellular leaflet. Both cholesterol and sphingomyelin are observed to cluster in cav-1 bound membranes, mainly in the extracellular leaflet. Due to their negative spontaneous curvature, clustering of cholesterol and sphingomyelin facilitates membrane curvature such that the extent of either cholesterol or sphingomyelin clustering is dependent on the curvature induced. Our results suggest that cav-1 binding induces concentration-dependent curvature effects in sphingomyelin-rich membranes. Overall, our work is an important step in understanding the molecular basis of curvature and lipid clustering in cav1 bound cellular membranes.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c02962}, author = {Krishna, Anjali and Prakash, Shikha and Sengupta, Durba} } @article {46599, title = {Stepwise nucleophilic substitution to access saturated N-heterocyclic carbene haloboranes with boron-methyl bonds}, journal = {Organometallics}, volume = {39}, year = {2020}, month = {DEC}, pages = {4696-4703}, type = {Article}, abstract = {

Compounds of boranes with N-heterocyclic carbenes are known, yet little attention has been paid to NHC compounds of boron bearing methyl and halogen moieties together. The reason can be attributed to the hazardous methyldichloroborane (MeBCl2), which ignites in air. We describe here convenient solution-phase access to SIDipp.MeBCl2 (SIDipp = 1,3-bis(2,6-diisopropylphenyl)imidazolin-2-ylidene) (3) by a salt metathesis reaction of SIDipp.BCl3 (2) with MeLi. Replacement of the chlorine atoms of 3 with stepwise addition of AgOTf led to the formation of SIDipp.MeBCl(OTf) (4) and SIDipp.MeB(OTf)2 (5). In the case of 4, all of the substituents on the boron atom are different. Subsequently, we extended our synthetic approach to the amidinate system and prepared PhC(NtBu)2B(Me)Cl (7) from the reaction of PhC(NtBu)2BCl2 (6) with MeLi.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.0c00691}, author = {Kundu, Gargi and Pahar, Sanjukta and Tothadi, Srinu and Sen, Sakya S.} } @article {46675, title = {Stimuli-responsive biodegradable polyurethane nano-constructs as a potential triggered drug delivery vehicle for cancer therapy}, journal = {International Journal of Pharmaceutics}, volume = {588}, year = {2020}, month = {OCT }, pages = {119781}, type = {Review}, abstract = {

Polyurethanes (PUs) constitute an essential class of stimuli-responsive and biodegradable material, which has significantly contributed to the advancement of polymers utilization in the biomedical field. The bio-erodible PUs construct an active corridor for facilitating drug into tumor cells, which has significantly impacted the progression of nano-micellar delivery systems. The self-assembled colloidal PUs pose distinctive features such as enhancing the solubility of hydrophobic chemotherapeutics, rapid cellular uptake, triggered erosion and drug release, bio-stimulus sensitivity, improvement in the targeting and proficiency of bioactive. Cationic PUs can easily be condensed with genetic material to form polyplexes and have shown excellent transfection efficiency for potential gene therapy against various cancers. Their modifiable chemistry offers a tool to impart the desired multifunctionality such as biocompatibility, sensitivity to pH, redox, temperature, enzyme, etc. and ligand conjugation for active targeting. These diverse exceptional properties make them excellent nano-carrier for a variety of bioactive, including chemotherapeutic drugs, DNA, RNA, and diagnostic moieties to the target tissue or cells. The PUs based nano-devices have certainly uncovered the path to achieve ideal systems for controlled personalized therapy. The literature discussed in this review shed light on the research innovations carried out in the last ten years for the development of multifunctional PUs for triggered delivery of bioactive to treat various cancers.

}, keywords = {Cancer nanomedicine, GSH, micelles, Polyurathanes, redox, Stimuli-responsive}, issn = {0378-5173}, doi = {10.1016/j.ijpharm.2020.119781}, author = {Gajbhiye, Kavita R. and Chaudhari, Bhushan P. and Pokharkar, Varsha B. and Pawar, Atmaram and Gajbhiye, Virendra} } @article {46969, title = {Stress-induced electronic structure modulation of manganese-incorporated Ni2P leading to enhanced activity for water splitting}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {FEB}, pages = {1271-1278}, type = {Article}, abstract = {

The cornerstone of the emerging hydrogen economy is hydrogen production by water electrolysis with concomitant oxygen generation. Incorporating a third element in metal phosphides can tune the crystalline and electronic structure, hence improving the electrocatalytic properties. In this work, Mn-doped Ni2P with varying ratios of Mn and Ni has been explored as excellent catalysts for water splitting. A complete cell made of the best catalyst Ni1.5Mn0.5P electrodes showed low voltage of 1.75 V at a current density of 10 mA cm(-2) due to enhanced electrical conductivity, induction of tensile stress, enhanced electrochemical surface area, and increased electric dipole upon Mn incorporation.

}, keywords = {Electronic Structure, hydrogen evolution reaction, Oxygen Evolution Reaction, phosphides, water splitting}, issn = {2574-0962}, doi = {10.1021/acsaem.9b02097}, author = {Sarkar, Shreya and Dheer, Lakshay and Vinod, C. P. and Thapa, Ranjit and Waghmare, V. Umesh and Peter, Sebastian C.} } @article {46695, title = {Stronger transcription regulatory circuit of HIV-1C drives the rapid establishment of latency with implications for the direct involvement of tat}, journal = {Journal of Virology}, volume = {94}, year = {2020}, month = {OCT}, pages = {e00503-20}, type = {Article}, abstract = {

The magnitude of transcription factor binding site variation emerging in HIV-1 subtype C (HIV-1C), especially the addition of NF-kappa B motifs by sequence duplication, makes the examination of transcriptional silence challenging. How can HIV-1 establish and maintain latency despite having a strong long terminal repeat (LTR)? We constructed panels of subgenomic reporter viral vectors with varying copy numbers of NF-kappa B motifs (0 to 4 copies) and examined the profile of latency establishment in Jurkat cells. Surprisingly, we found that the stronger the viral promoter, the faster the latency establishment. Importantly, at the time of commitment to latency and subsequent points, Tat levels in the cell were not limiting. Using highly sensitive strategies, we demonstrate the presence of Tat in the latent cell, recruited to the latent LTR. Our data allude, for the first time, to Tat establishing a negative feedback loop during the late phases of viral infection, leading to the rapid silencing of the viral promoter. IMPORTANCE Over the past 10 to 15 years, HIV-1 subtype C (HIV-1C) has been evolving rapidly toward gaining stronger transcriptional activity by sequence duplication of major transcription factor binding sites. The duplication of NF-kappa B motifs is unique and exclusive to HIV-1C, a property not shared with any of the other eight HIV-1 genetic families. What mechanism(s) does HIV-1C employ to establish and maintain transcriptional silence despite the presence of a strong promoter and concomitant strong, positive transcriptional feedback is the primary question that we attempted to address in the present manuscript. The role that Tat plays in latency reversal is well established. Our work with the most common HIV-1 subtype, HIV-1C, offers crucial leads toward Tat possessing a dual role in serving as both a transcriptional activator and repressor at different phases of viral infection of the cell. The leads that we offer through the present work have significant implications for HIV-1 cure research.

}, keywords = {HIV-1C, latency, LTR, NF-kappa B, positive feedback, Tat}, issn = {0022-538X}, doi = {10.1128/JVI.00503-20}, author = {Chakraborty, Sutanuka and Kabi, Manisha and Ranga, Udaykumar} } @article {46712, title = {Structural and electrical characterization studies for ternary composite of polypyrrole}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {31}, year = {2020}, month = {NOV}, pages = {18400-18411}, type = {Article}, abstract = {

In this work, temperature dependence of alternate current (AC) and direct current (DC) conductivities of optimized polypyrrole/silver-tantalum oxide (PPy/Ag-Ta2O5), a ternary conducting polymer composite is comparatively studied with those of PPy and PPy/Ag. For the purpose, silver (Ag) nanoparticles were encapsulated with polypyrrole (PPy) by in situ oxidative polymerization to form core-shell structured PPy/Ag composite for which Ag nanoparticles were extracted from green tea. The PPy/Ag composite was then mechanically mixed with tantalum pentoxide (Ta2O5) to form PPy/Ag-Ta(2)O(5)ternary composite. Increase in depth of delocalization band of PPy in ternary composite as compared to those of PPy/Ag composite and PPy, indicating its increased AC conductivity confirmed from the comparative FTIR analyses. Interaction between PPy/Ag composite and Ta(2)O(5)in the ternary composite was confirmed from XRD studies. The formation of core-shell structured PPy/Ag composite and Ta(2)O(5)particles embedded in such PPy/Ag composite to form PPy/Ag-Ta(2)O(5)ternary composite confirmed from TEM and Raman studies. The frequency- and temperature-dependent electrical conductivity studies revealed increase in AC conductivity of the ternary composite as compared to those of PPy/Ag composite and pure PPy attributed mainly to interfacial effects. The charge transport in these samples predicted to be due to correlated barrier hopping of charges was confirmed by calculating their respective AC and DC activation energies.

}, issn = {0957-4522}, doi = {10.1007/s10854-020-04386-4, Early Access Date = SEP 2020}, author = {Megha, R. and Ravikiran, Y. T. and Kumari, S. C. Vijaya and Prakash, H. G. Raj and Revanasiddappa, M. and Manjunatha, S. and Dastager, Syed G. and Thomas, S.} } @article {46693, title = {Structural and enzymatic analysis of a dimeric cholylglycine hydrolase like acylase active on N-acyl homoserine lactones}, journal = {Biochimie}, volume = {177}, year = {2020}, month = {OCT}, pages = {108-116}, type = {Article}, abstract = {

The prevalence of substrate cross-reactivity between AHL acylases and beta-lactam acylases provides a glimpse of probable links between quorum sensing and antibiotic resistance in bacteria. Both these enzyme classes belong to the N-terminal nucleophile (Ntn)-hydrolase superfamily. Penicillin V acylases alongside bile salt hydrolases constitute the cholylglycine hydrolase (CGH) group of the Ntn-hydrolase superfamily. Here we report the ability of two acylases, Slac1 and Slac2, from the marine bacterium Shewanella loihica PV4 to hydrolyze AHLs. Three-dimensional structure of Slac1 reveals the conservation of the Ntn hydrolase fold and CGH active site, making it a unique CGH exclusively active on AHLs. Slac1homologs phylogenetically cluster separate from reported CGHs and AHL acylases, thereby representing a functionally distinct sub-class of CGH that might have evolved as an adaptation to the marine environment. We hypothesize that Slac1 could provide the structural framework for understanding this subclass, and further our understanding of the evolutionary link between AHL acylases and beta-lactam acylases. (C) 2020 Elsevier B.V. and Societe Francaise de Biochimie et Biologie Moleculaire (SFBBM). All rights reserved.

}, keywords = {AHL acylase, Cholyolglycine hydrolase, Homodimer, Ntn-fold, Shewanella loihica-PV4}, issn = {0300-9084}, doi = {10.1016/j.biochi.2020.07.017}, author = {Philem, Pushparani D. and Yadav, Yashpal and Sunder, Avinash Vellore and Ghosh, Deepanjan and Prabhune, Asmita and Ramasamy, Sureshkumar} } @article {46636, title = {Structural and physical analysis of underwater silk from housing nest composites of a tropical chironomid midge}, journal = {International Journal of Biological Macromolecules}, volume = {163}, year = {2020}, month = {NOV }, pages = {934-942}, type = {Article}, abstract = {

Chironomids are an abundant group of aquatic silk spinning insects. They offer a unique opportunity of silk harvestation without killing them; however, they remained underappreciated models in silk research. Here, we investigate the structural and biomechanical characteristics of silk from the midge, Chironomus ramosus. A combination of microscopic (SEM), spectroscopic (CD and IR), structural (XRD), thermal (DSC and TGA) and mechanical measurement tools and techniques were employed to gain critical insights on midge silk. Maximum yield of silk was obtained from Chironomus in similar to 2.5 h, the shortest time reported among insects. The network of water-insoluble silk fibres possessed the smallest diameter of 110 +/- 35 nm, known for any insect silk, qualifying its superiority in fibre fineness. We demonstrate a cruelty-free silk extraction method in contrast to the conventional violent techniques. Structural characterization indicated coexistence of various secondary conformations, beta sheets being predominant. We compare and contrast these features to well-characterized caddisfly and silk-worm silks and highlight the uniqueness in midge silk that render mechanical stability and potentially contribute to its multi-functionalization. We thus propose Chironomus as an emerging candidate of water-borne silk, especially in the context of the {\textquoteleft}Peace silk{\textquoteright} industry, aiming to develop non-violent methods for silk harvestation from animals. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {biopolymer, Chironomus, Commercial applications, Housing nest composite, Peace silk, Underwater silk}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.07.070}, author = {Thorat, Leena and Joseph, Emmanuel and Nisal, Anuya and Shukla, Ekta and RaviKumar, Ameeta and Nath, Bimalendu B.} } @article {46846, title = {Structural, electrochemical and catalytic activity of Prussian blue analogues embedded with functionalized carbon for solid state battery applications}, journal = {International Journal of Hydrogen Energy}, volume = {45}, year = {2020}, month = {MAY}, pages = {15317-15326}, type = {Article}, abstract = {

The nanoparticles of Mn-1.5[Cr(CN)(6)]center dot mH(2)O@Ni-1.5[Cr(CN)(6)]center dot nH(2)O core-shell prussian blue analogues (PBA) embedded with carbon additives (PBA-C) were synthesized and characterized as electrode material for solid state battery application. The impedance spectroscopy and cyclic voltametry were used to study the electrochemical properties by adding functionalized carbon in 1:1 proportion to improve the electrical performance. The value of room temperature electrical conductivity of core-shell PBA and core-shell nanoparticles mixed with vulcan carbon (PBA-C) are found to be 1.574 x 10(-3) and 1.92 x 10(-3) Scm(-1), respectively. Using Li2La3Zr2O12 (LZZO) electrolyte, single cell was fabricated with PBA-C material, and studied its charging-discharging cycles, which exhibits higher current density with stable performance for 400 cycles for time slots of 400 min. The study reveals that the PBA core-shell nanoparticles mixed with carbon (PBA-C) may be a potential candidate as an electrode material in the form of a single cell using LZZO electrolyte. (C) 2020 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {cyclic voltametry, Electrolyte, Prussian blue analogues (PBA), Solid state battery, XPS}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2020.03.244}, author = {Shaikh, Shabana P. S. and Bhatt, Pramod and Yusuf, S. M. and Bhange, S. N. and Bansod, Sudhakar and Abdalla, Abdalla M.} } @article {47330, title = {Structural, Hirshfeld surface and in vitro cytotoxicity evaluation of five new N-aryl-N{\textquoteright}-alkoxycarbonyl thiocarbamide derivatives}, journal = {Phosphorus Sulfur and Silicon and the Related Elements}, volume = {195}, year = {2020}, month = {OCT }, pages = {812-820}, type = {Article}, abstract = {

Five new compounds, N-(2, 4-dichlorophenyl)-N{\textquoteright}-(methoxycarbonyl) thiocarbamide (1), N-(2, 4-dichlorophenyl)-N{\textquoteright}-(ethoxycarbonyl) thiocarbamide (2), N-(2, 4-dichlorophenyl)-N{\textquoteright}-(2, 2, 2-trichloroethoxycarbonyl) thiocarbamide (3), N-(2,4-dichlrophenyl)-N{\textquoteright}-(pentoxycarbonyl) thiocarbamide (4) and N-(4-nitrophenyl)-N{\textquoteright}-(pentoxycarbonyl) thiocarbamide (5), have been synthesized by the reaction of various alkoxy chloroformates with 2, 4-dichloroaniline/4-nitroaniline.The molecular structures of the compounds were elucidated by using spectroscopic methods (FT-IR, H-1 and C-13 NMR) and single-crystal X-ray structure analysis of compounds 2 and 5. Antiperiplanar orientation of C = O and C = S group across C-N bonds of thiocarbamide core may be due to the presence of intramolecular (N-H center dot center dot center dot O-C) hydrogen bond in the crystal structure of both the compounds. The presence of intermolecular interactions (C-H center dot center dot center dot S, C-H center dot center dot center dot O and N-H center dot center dot center dot S) in the molecular structure of the compounds has been studied in detail using Hirshfeld surfaces and their associated twodimensional fingerprint plots. In vitro cytotoxicity screening of the synthesized compounds evaluated on a panel of seven human cancer cell lines (cervical carcinoma (2008, C13*), colorectal (HT29 and HCT116) and ovarian carcinoma (A2780, A2780/CP and IGROV-1)) demonstrated significant inhibitory properties.

}, keywords = {Hirshfeld surface analysis, In vitro cytotoxicity, Thiocarbamide, X-ray crystal structure determination}, issn = {1042-6507}, doi = {10.1080/10426507.2020.1756809, Early Access Date = MAY 2020}, author = {Pandey, Sunil K. and Pratap, Seema and Rai, Sunil K. and Marverti, Gaetano} } @article {46879, title = {Structural, molecular, functional and immunological characterization of Wuchereria bancrofti-galectin}, journal = {International Journal of Biological Macromolecules}, volume = {150}, year = {2020}, month = {MAY }, pages = {206-217}, type = {Article}, abstract = {

Galectins regulate growth and differentiation of immune cells and inflammation through their carbohydrate-binding function in humans, while also play a role in parasite survival. This study focused on the galectin of lymphatic filarial parasite Wuchereria bancrofti (Wb-Gal). The multiple sequence alignment with other galectins showed that the Wb-Gal belonged to galactoside binding lectin family, particularly tandem repeat type galectin-9. A homology model of Wb-Gal was developed in the I-TASser server using high similarity 3D structures with a quality score of 89.5. Molecular docking and dynamics studies revealed that the CCRD and NCRD of Wb-Gal bind with galactose and lactose. Further, Wb-Gal was cloned into the pET28 vector, expressed in E. coli Rosetta strain and purified by affinity chromatography. In the hemagglutination assays, the rWb-Gal bound to lactose, galactose, and glucose. Indirect Enzyme-Linked Immunosorbent Assay (ELISA) using different clinical filarial sera showed that the IgG and IgM response was against Wb-Gal x very high in all filarial clinical groups, whereas the IgA and IgG2 response was minimum to negligible. There was an enhanced response of IgG1 and IgG4 antibodies in Microfilaremics (MF) cases compared to Chronic Pathology (CP) and Endemic Normal (EN) individuals. Interestingly, the IgE response was comparatively higher in EN than MF and CP. These studies show that Wb-Gal is a member of the lectin family of proteins binding to different carbohydrates and may have an important role in the pathophysiology of filarial infection which needs to be investigated in greater detail. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Filariasis, Hemagglutination assay, Immunomodulation, Wuchereria bancrofti galectin}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.02.024}, author = {Yasin, Nazeer and Laxmanappa, Hoti Sugerappa and Muddapur, Uday M. and Cheruvathur, Jennifer and Prakash, S. M. Udaya and Thulasiram, Hirekodathakallu Venkataramaiah} } @article {46914, title = {Structural studies on 10-hydroxygeraniol dehydrogenase: a novel linear substrate-specific dehydrogenase from Catharanthus roseus}, journal = {Proteins-Structure Function and Bioinformatics}, volume = {88}, year = {2020}, month = {SEP}, pages = {1197-1206}, type = {Article}, abstract = {

Conversion of 10-hydroxygeraniol to 10-oxogeranial is a crucial step in iridoid biosynthesis. This reaction is catalyzed by a zinc-dependent alcohol dehydrogenase, 10-hydroxygeraniol dehydrogenase, belonging to the family of medium-chain dehydrogenase/reductase (MDR). Here, we report the crystal structures of a novel 10-hydroxygeraniol dehydrogenase from Catharanthus roseus in its apo and nicotinamide adenine dinucleotide phosphate (NADP(+)) bound forms. Structural analysis and docking studies reveal how subtle conformational differences of loops L1, L2, L3, and helix alpha 9{\textquoteright} at the orifice of the catalytic site confer differential activity of the enzyme toward various substrates, by modulating the binding pocket shape and volume. The present study, first of its kind, provides insights into the structural basis of substrate specificity of MDRs specific to linear substrates. Furthermore, comparison of apo and NADP(+) bound structures suggests that the enzyme adopts open and closed states to facilitate cofactor binding.

}, keywords = {10-hydroxygeraniol dehydrogenase, iridoid biosynthesis, medium-chain dehydrogenase, monoterpene indole alkaloids, reductase, X-ray crystallography}, issn = {0887-3585}, doi = {10.1002/prot.25891, Early Access Date = MAR 2020}, author = {Sandholu, Anand S. and Mujawar, Sharmila P. and Ramakrishnan, Krithika and Thulasiram, Hirekodathakallu V. and Kulkarni, Kiran} } @article {46656, title = {Structure and regulation of SWEET transporters in plants: an update}, journal = {Plant Physiology and Biochemistry}, volume = {156}, year = {2020}, month = {NOV}, pages = {1-6}, type = {Review}, abstract = {

Sugar will eventually be exported transporters (SWEETs), a novel family of sugar transporters found in both eukaryotes and prokaryotes, facilitate sugar flux across the cell membrane. Although these transporters were first discovered in plants, their homologs have been reported in different organisms. SWEETs have critical roles in various developmental processes, including phloem loading, nectar secretion, and pathogen nutrition. The structure of bacterial homologs, called SemiSWEETs, has been well studied thus far. Here, we provide an overview of SWEET protein structure and dynamic function by analyzing the solved crystal structures and predicted models that are available for a few SWEETs in a monocot plant (rice) and dicot plant (Arabidopsis thaliana). Despite the advancement in structure-related studies, the regulation of SWEETs remains unknown. In light of reported regulatory mechanisms of a few other sugar transporters, we propose the regulation of SWEETs at the post-translational level. We then enumerate the potential post-translational modification sites in SWEETs using computational tools. Overall, in this review, we critically analyze SWEET protein structure in plants to predict the post-translational regulation of SWEETs. Such findings have a direct bearing on plant nutrition and defense and targeting the regulation at these levels will be important in crop improvement.

}, keywords = {oligomerization, Phosphorylation, Post-translational modification, Sugar transporters, Sugar will eventually be exported transporters}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2020.08.043}, author = {Anjali, Anjali and Fatima, Urooj and Manu, M. S. and Ramasamy, Sureshkumar and Senthil-Kumar, Muthappa} } @article {46938, title = {Study of interfacial adhesion between nickel-titanium shape memory alloy and a polymer matrix by laser surface pattern}, journal = {Applied Sciences-Basel}, volume = {10}, year = {2020}, month = {MAR}, pages = {2172}, type = {Article}, abstract = {

The aim of this article is to investigate the interfacial adhesion of Ni-Ti shape memory alloy with a polymer matrix of Poly (methyl methacrylate) (PMMA). The surface pattern on Ni-Ti plates was channeled by a solid state laser machine. The laser machine allows for creating channels on the Ni-Ti surface for infiltration of the PMMA matrix, which could be attached as an intra-surface locking pattern to the Ni-Ti surface. The influence of the PMMA matrix on the surface of the NiTi plate was evaluated by thermomechanical analysis (TMA) and dynamic mechanical analysis (DMA). The surface characterization was carried out by an optical microscope on the PMMA/NiTi composite after mechanical testing. During mechanical testing, the polymer displays the multiple cracks in the longitudinal direction that result in slipping and fracture. TMA and DMA analyses were performed on the Ni-Ti- and PMMA-coated Ni-Ti ribbon to observe elasticity and the storage modulus for both samples. Better adhesion than 80 \% was observed in the Ni-Ti surface, in the laser surface pattern, in comparison to the free plain surface. However, the polymer acts as mechanical backing that caused a reduction in the shape-memory properties of the composite material.

}, keywords = {adhesion, mechanical properties, NiTi composites, NiTi plate, PMMA, Polymer, surface features}, doi = {10.3390/app10062172}, author = {Samal, Sneha and Tyc, Ondrej and Heller, Ludek and Sittner, Petr and Malik, Monika and Poddar, Pankaj and Catauro, Michelina and Blanco, Ignazio} } @article {46935, title = {Study of the phase-evolution mechanism of an Fe-Se system at the nanoscale: optimization of synthesis conditions for the isolation of pure phases and their controlled growth}, journal = {Langmuir}, volume = {36}, year = {2020}, month = {MAR }, pages = {2012-2022}, type = {Article}, abstract = {

The iron selenide (Fe-Se) family of nanoparticles (FexSey-where x/y ranges from 1:2 to 1:1) has been fabricated by a thermal decomposition method. The control over solution chemistry has been developed by intensively investigating the effect of reaction parameters by means of wide-angle X-ray scattering, leading to the rich insights into the phase-evolution mechanism of the Fe-Se system. The phase transformation followed the FeSe2 -\> Fe3Se4 -\> Fe7Se8 -\> FeSe sequence in the temperature range of 110-300 degrees C. The deep mechanistic insight helped in the identification of optimized conditions needed to crystallize the individual phase of the Fe-Se system as well as control of the morphology, crystalline phase purity, and thermal stability of the obtained Fe-Se nanoparticles.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.9b03643}, author = {Ghalawat, Monika and Poddar, Pankaj} } @article {46736, title = {Sunlight assisted improved photocatalytic degradation of rhodamine B using Pd-loaded g-C3N4/WO(3)nanocomposite}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {126}, year = {2020}, month = {AUG}, pages = {724}, type = {Article}, abstract = {

Effective photocatalytic degradation of organic toxic dyes from industrial effluents using low-cost nanomaterials as a photocatalyst under sunlight promises for water purification and environmental recovery. The present work is focused on the synthesis of Palladium (Pd) loaded g-C3N4/WO(3)nanocomposite using a facile method and its photocatalytic degradation of Rhodamine B (RhB) using under sunlight. The results of the photocatalytic dye degradation experiment show that Pd loaded g-C3N4/WO(3)nanocomposite photocatalyst degrades 98\% of RhB in 40 min of sunlight illumination. This remarkable photocatalytic degradation performance of Pd loaded g-C3N4/WO(3)nanocomposite mainly attributed due to their intrinsic photocatalytic activity and co-existence of enhanced light absorbance and efficient charge transfer process in between the g-C3N4/WO(3)heterojunction. The durability testing experiments indicate that Pd loaded g-C3N4/WO(3)nanocomposite photocatalyst could be effectively reused and possesses high photochemical structural stability even after several recycle process. Present experimental results demonstrated highly encouraging photo-degradation response of Pd loaded g-C3N4/WO(3)nanocomposite photocatalyst at outdoor conditions paves the way for the development of energy conversion and environmental remediation process.

}, keywords = {Nanocomposite, Palladium loading, Photocatalysis, Photodegradation, Rhodamine B, Sunlight}, issn = {0947-8396}, doi = {10.1007/s00339-020-03914-7}, author = {Alman, Vidya and Singh, Kirti and Bhat, Tejasvinee and Sheikh, Arif and Gokhale, Suresh} } @article {46665, title = {Surface functionalization: an efficient alternative for promoting the catalytic activity of closed shell gold clusters}, journal = {Physical Chemistry Chemical Physics}, volume = {22}, year = {2020}, month = {OCT }, pages = {23351-23359}, type = {Article}, abstract = {

{Surface functionalization through adsorption of ligands or non-metal atoms is considered to be an interesting and viable approach for tuning the physicochemical properties of gold clusters. Highly stable and magic numbered electronic configurations of thiolate protected gold clusters such as Au-25(SR)(18), Au-38(SR)(24)etc. with intriguing properties are the direct manifestation of the rich chemistry of the Au-S interface. The present investigation discerns the CO oxidation activity of structurally well characterized sulphur functionalized gold cluster anions AumS4-

}, issn = {1463-9076}, doi = {10.1039/d0cp01918f}, author = {Joshi, Krati and Krishnamurty, Sailaja and Dar, Manzoor Ahmad} } @article {46786, title = {SWATH-MS based quantitative proteomics analysis to evaluate the antileishmanial effect of Commiphora wightii- Guggul and Amphotericin B on a clinical isolate of Leishmania donovani}, journal = {Journal of Proteomics}, volume = {223}, year = {2020}, month = {JUL }, pages = {103800}, type = {Article}, abstract = {

The present study provides comprehensive proteomics analyses of the response of L. donovani parasite to pharamacological stress in vitro. Identification of differentially expressed proteins with associated molecular functions and metabolic pathways, clearly provides an insight into the potential mechanism of the antileishmanial effects as well as a comparative response of the parasite to Guggul and AmB. Treatment of parasite with AmB results in an enhanced modulatory mechanism to counteract the drug induced stress which may have contributed to relapse. In the case of Guggul treatment, an effective antipromastigote activity was observed, which is being reported for the first time. Thus, a deeper understanding of the molecular pathways in the Leishmania parasite in response to pharmacological stress would help in designing novel and effective strategies in targeting the key molecules essential for parasite survival. It will also help in screening of new lead molecules targeting these vital pathways which could be used as an adjunct therapy along with the limited repertoire of antileishmanial drugs.

}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.103800}, author = {Bar Routaray, Chinmayee and Bhor, Renuka and Bai, Shakuntala and Kadam, Nitin Suryakant and Jagtap, Surabhi and Doshi, Pooja Jignesh and Sundar, Shyam and Sawant, Sangeeta and Kulkarni, Mahesh J. and Pai, Kalpana} } @article {46735, title = {Synthesis and antimycobacterial screening of new 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-3-yl)quinoline derivatives}, journal = {Journal of Heterocyclic Chemistry}, volume = {57}, year = {2020}, month = {NOV}, pages = {3918-3929}, type = {Article}, abstract = {

A new series of 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-3-yl)quinoline (6a-t) have been synthesized by a click reaction of 4-(4-ethynyl-1-phenyl-1H-pyrazol-3-yl)quinoline (4a-d) with a substituted benzyl azide (5a-e). The starting alkyne derivatives4a-dare obtained from Bestmann-Ohira reaction of 1-phenyl-3-(quinolin-4-yl)-1H-pyrazole-4-carbaldehyde and dimethyl(1-diazo-2-oxopropyl)phosphonate. The newly synthesized compounds are screened againstM. tuberculosisH37Ra dormant and active,Escherichia coli,Pseudomonas fluorescence,Staphylococcus aureusandBacillus subtilisstrains at 30 mu g/mL concentration. Most of the screened compounds showed good to moderate antibacterial activity againstS. aureus,B. subtilis, andMycobacterium tuberculosisH37Ra strains. The synthesized derivatives of quinolinyl-pyrazole-4-carbaldehyde and quinolinyl-pyrazole-4-ethyne reportd good to moderate activity against both strains ofM. tuberculosisH37Ra. Ten derivatives of quinolinyl-pyrazole presented good activity againstB. subtilis. These results suggested that further optimization and development of quinolinyl-pyrazolyl-1,2,3-triazole moeity could serve as lead compounds for antimycobacterial activity.

}, issn = {0022-152X}, doi = {10.1002/jhet.4101, Early Access Date = AUG 2020}, author = {Thakare, Prashant P. and Walunj, Yogesh and Chavan, Abhijit and Bobade, Vivek D. and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {46864, title = {Synthesis and biological activity of imidazole based 1,4-naphthoquinones}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {MAY }, pages = {6889-6901}, type = {Article}, abstract = {

Design and development of drugs in multi-drug resistant (MDR) infections have been of growing interest. We report the syntheses, and antibacterial and antifungal activities of imidazole-based 1,4-naphthoquinones (I-1 to I-4; 1-alkyl-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione (alkyl = methyl to butyl)) and their precursors (B-3; N-(3-chloro-1,-dioxo-1,4-dihydronaphthalen-2-yl)acetamide) and A-1 to A-4; N-(3-(alkylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetamide (alkyl = methyl to butyl). Crystal structures of B-3, A-1 to A-3 and I-2 to I-4 were obtained through single crystal X-ray diffraction experiments. Electronic structure and charge distribution have further been characterized with the use of Density Functional Theory. Seven of these derivatives display a broad spectrum of antibacterial activity against few selected bacterial strains (Gram-positive and Gram-negative). As demonstrated MIC values with B-2 and B-3 against bacterial isolates were 8-64 mu g ml(-1) and those against pathogenic yeast, C. albicans, were observed in the range of 128-256 mu g ml(-1). MIC data of these derivatives suggest them to be promising against pathogens.

}, issn = {1144-0546}, doi = {10.1039/c9nj04339j}, author = {Choudhari, Dinkar and Salunke-Gawali, Sunita and Chakravarty, Debamitra and Shaikh, Samir R. and Lande, Dipali N. and Gejji, Shridhar P. and Rao, Pradeep Kumar and Satpute, Surekha and Puranik, Vedavati G. and Gonnade, Rajesh} } @article {46809, title = {Synthesis and characterization of biocompatible poly (L-lactide) using zinc (II) salen complex}, journal = {International Journal of Polymer Analysis and Characterization}, volume = {25}, year = {2020}, month = {JUL }, pages = {283-299}, type = {Article}, abstract = {

A biocompatible zinc (II) complex based on a tetradentate N,N,O,O-type salen ligand was synthesized, characterized and used for the solvent-free ring-opening polymerization (ROP) of L-lactide in bulk at 180 degrees C to prepare high molecular weight poly(L-lactide) (M-n: 82,600 Da;M-w: 140,000 Da; PDI: 1.70). Poly(L-lactide) (PLLA) was characterized using FTIR,H-1 NMR,C-13 NMR, GPC, TGA, DSC, WAXD, and MALDI-ToF. Kinetic measurement was carried out and first-order behavior to monomer was observed. Thek(app)was found as 6 +/- 0.001 x 10(-4 )s(-1). The biocompatibility of the PLLA was confirmed byin vitrocytotoxicity against NIH/3T3 fibroblast cell line and can be used in biomedical applications.

}, keywords = {Biocompatible, Biomedical Applications, in vitro, PLLA, zinc (II) salen complex}, issn = {1023-666X}, doi = {10.1080/1023666X.2020.1783496, Early Access Date = JUN 2020}, author = {Rade, Priyanka P. and Garnaik, Baijayantimala} } @article {47138, title = {Synthesis and characterization of nylon 6 polymer nanocomposite using organically modified Indian bentonite}, journal = {SN Applied Sciences}, volume = {2}, year = {2020}, month = {JUL}, pages = {Article number: 1412}, type = {Article}, abstract = {

In this present research work two different organic compounds are applied for the modification of Indian origin bentonite. One\ is with n-hexadecyltrimethylammonium bromide (CTAB), intercalated with an\ interlayer of bentonite via cation exchange mechanism. Whereas, another with 3-Aminopropyl trimethoxysilane (APTES) interlayer functionalization with bentonite {\textendash}OH group. APTES and CTAB{\textendash}intercalated bentonites samples were further cross modified with CTAB and APTES to obtain novel co-surfactant locked organo bentonite modeling (CLOM) like matrices. Original and modified bentonite samples were comparatively evaluated by advanced characterization techniques such as, powder X-ray diffraction, Fourier-transform infrared spectroscopy, thermal gravimetric analysis (TGA). Moreover,\ the\ applicability of the developed CLOM like materials were investigated in nylon 6 nanocomposite preparation by melt compounding method using a micro twin co-rotated extruder. Additionally, CLOM-nylon-6 polymer nanocomposites were characterized by wide angle X-ray diffraction, TGA, differential scanning calorimetry, atomic force microscopy and tensile strength measurement. The observed thermograph results confirmed no significant difference in the thermal properties of the developed composites. Whereas, the significant variation observed in the tensile strength results particularly for developed composite 5\% of N6-OAMSB and N6 AMOSB 5 showed 111.5 and 76.6\% respective enhancement in tensile strength results when compared with a bare nylon-6 polymer.

}, doi = {10.1007/s42452-020-2579-5}, author = {Kumaresan, S. and Rokade, Dhammaraj S. and Marathe, Yogesh N. and Ingole, Pravin G. and Pawar, Radheshyam R. and Pol, Harshawardhan V. and Bajaj, Hari C.} } @article {46928, title = {Synthesis and characterization of supported heteropoly acid: efficient solid acid catalyst for glycerol esterification to produce biofuel additives}, journal = {Inorganic and Nano-Metal Chemistry}, volume = {50}, year = {2020}, month = {NOV }, pages = {1157-1165}, type = {Article}, abstract = {

Esterification of glycerol with acetic acid has been studied with different solid acid catalysts, prepared by impregnating phospotungustic, silicotungstic, and phosphomolybdic acids on polymeric material polyvinylpyrrolidone. These results were compared with commercially available montmorillonite KSFO catalyst showed that PVP-DTP gave higher selectivity to di- and triacetins. This study was mainly focused on increasing the selectivity toward triacetin which is an excellent alternative to fossil fuel based fuel additives. The detail characterization was done for the PVP-DTP catalyst which gave complete conversion of glycerol and maximum selectivity of 34\% toward triacetin. Complete conversion of glycerol was achieved at 110 degrees C within 6 h of reaction time. The characterization of the catalyst was performed by SEM/EDX, X-ray diffraction, thermogravimetic techniques, and FT-IR analysis.TPD-NH3 characterization showed that DTP supported on PVP increases the catalyst acidity of PVP. The highest acidity of PVP-DTP is also confirmed using NH3-TPD analysis.

}, keywords = {Glycerol, phospostugustic acid, povidone, solid acid catalyst, triacetin}, issn = {2470-1556}, doi = {10.1080/24701556.2020.1737817, Early Access Date = MAR 2020}, author = {Magar, Subhash and Mohanraj, Govindraj T. and Jana, Sumit Kumar and Rode, V, Chandrashekhar} } @article {46960, title = {Synthesis, characterisation, Hirshfeld surface and in vitro cytotoxicity evaluation of new N-aryl-N {\textquoteleft}-Alkoxycarbonyl thiocarbamide derivatives}, journal = {Journal of Molecular Structure}, volume = {1202}, year = {2020}, month = {FEB}, pages = {127269}, type = {Article}, abstract = {

Four new compounds N-(4-nitrophenyl)-N{\textquoteright}-(isobutoxycarbonyl) thiocarbamide (1), N-(2, 4-nitrophenyl)-N{\textquoteright}-(isobutoxycarbonyl) thiocarbamide (2), N-(4-nitrophenyl)-N{\textquoteright}-(ethoxycarbonyl) thiocarbamide (3) and N-(2-Chloro- 4-nitrophenyl)-N{\textquoteright}-(ethoxycarbonyl) thiocarbamide (4) were prepared and their structures confirmed by using various spectroscopic (FT-IR, UV-Visible, H-1 and C-13 NMR) and single crystal X-ray studies of 1 and 3. The presence of intramolecular (N-H center dot center dot center dot O=C) hydrogen bond in the crystal structure of both the compounds causes planarity of carbonyl thiocarbamide unit and trans orientation of C=O and C=S group. The intermolecular contacts (C-H center dot center dot center dot S, C-H center dot center dot center dot O and N-H center dot center dot center dot S) present in crystal structures have been examined by Hirshfeld surface analysis and their associated 2D fingerprint plots. All the compounds were assessed for their in vitro cytotoxic properties against a panel of seven human cancer cells such as cervical carcinoma (2008, C13*), colorectal (HT29 and HCT116) and ovarian carcinoma (A2780, A2780/CP and IGROV-1). Among them, compounds 2 and 4 exhibited better activity than 1 and 3 against all the cell lines tested. (C) 2019 Elsevier B.V. All rights reserved.

}, keywords = {Hirshfeld surface analysis, In vitro cytotoxicity, Thiocarbamide, X-ray crystal structure}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2019.127269}, author = {Pandey, Sunil K. and Pratap, Seema and Rai, Sunil K. and Marverti, Gaetano and Kaur, Manpreet and Jasinski, Jerry P.} } @article {46647, title = {Synthesis, characterization and catalytic study of mesoporous carbon materials prepared via mesoporous silica using non-surfactant templating agents}, journal = {Journal of Porous Materials}, year = {2020}, month = {NOV}, type = {Article; Early Access}, abstract = {

Mesostructured silica materials with surface area in the range of similar to 700-900 m(2)/g have been prepared using hydroxy-carboxylic acid compounds such as tartaric acid, malic acid and citric acid (low cost non-surfactant template/pore forming agents) and tetraethylorthosilicate (TEOS) as silica source by sol-gel reaction. The templates were removed by either soxhlet extraction or calcination method. Mesoporous carbon molecular sieves were then prepared by carbonizing sucrose inside the pores of the above prepared mesoporous silica using sulfuric acid as a catalyst. The materials were characterized by FTIR spectroscopy, powder X-ray diffraction (XRD), N-2-sorption studies, microanalysis, thermal analysis and transmission electron microscopy (TEM). The resulting carbon material shows relatively higher surface area (similar to 1100 m(2)/g), narrow pore size distribution and pore diameter of 4-5 nm. The mesoporosity of carbon material arises from interconnecting channels arrangements of mesoporous silica template. The mesoporous carbon material was used as a support for the immobilization of rhodium complex [HRhCO(TPPTS)(3)] by ossification method. The prepared catalyst has been tested for the hydroformylation of higher olefins. The activity of the catalyst was improved by 20-30\% as compared to the catalyst prepared from a conventional activated carbon support.

}, keywords = {Carbonization, Hydroformylation, Immobilization, Low cost templates, mesoporous carbon, Mesoporous silica}, issn = {1380-2224}, doi = {10.1007/s10934-020-01003-x}, author = {Pagar, Nitin S. and Karandikar, Prashant R. and Chandwadkar, Asha J. and Deshpande, Raj M.} } @article {47312, title = {Synthesis, crystal structure and Hirshfeld surface analysis of the hydrated form of N{\textquoteright}, N-(1,4-phenylenebis(methanylylidene) di(iso-nicotinic hydrazide)}, journal = {Chemical Data Collections}, volume = {28}, year = {2020}, month = {AUG}, type = {Article}, abstract = {

The title compound, C20H16N6O2\ was synthesized by reflux with isonicotinic hydrazide and terephthaldehyde in ethanol solvent with the acidic condition. The single-crystal X-ray structure determination of the title compound,\ N, N-(1,4-phenylene bis (methanylylidene) di(iso-nicotinic hydrazide), reveals that the molecule crystallizes in center of symmetry with water molecules (Dihydrated form, C20H16N6O2.2H2O) through N-H...O and C-H...O hydrogen bondings. Further, the crystal structure is stabilized by O-H...O and weak C-H...N hydrogen bondings with the formation of infinite chain and dimer. Further, surface analysis and fingerprint plot reveal that the significant hydrogen bonding such as H{\textbullet}{\textbullet}{\textbullet}O (15.9\%) and N{\textbullet}{\textbullet}{\textbullet}H (11.4\%) interactions play the most crucial role for its molecular packing.

}, doi = {10.1016/j.cdc.2020.100401}, author = {Ingle, Kapil S. and Mohurle, Smital A. and Bairagi, Keshab M. and Shaikh, Tabrez R. and Venugopala, Katharigatta N. and Chandrashekharappa, Sandeep and Gonnade, Rajesh G. and Nayak, Susanta K.} } @article {46849, title = {Synthesis of 2-azabicyclo[m.n.0]-alkanes and their application towards the synthesis of strychnos and stemona classes of alkaloids}, journal = {European Journal of Organic Chemistry}, volume = {2020}, year = {2020}, month = {JUL }, pages = {3883-3888}, type = {Article}, abstract = {

2-Azabicyclo[m.n.0]alkane ring systems, the conceptual precursors towards the synthesis of Strychnos and Stemona classes of alkaloids, were synthesized from tert-butyl 2-(phenylsulfonyl)-7-aza-bicyclo[2.2.1]hept-2-ene-7-carboxylate by alkyl Grignard reaction and intramolecular cyclisation of the in situ generated ring opening product 2. The synthesized cis-hexahydroindole 3 and cis-octahydro-benzo[b]azepine 5 scaffolds were utilized to construct the advanced intermediates 25 and 35, respectively, towards the synthesis of the corresponding Strychnos and Stemona classes of alkaloids.

}, keywords = {alkaloids, amines, Grignard reaction, Michael addition, Natural products}, issn = {1434-193X}, doi = {10.1002/ejoc.202000507, Early Access Date = MAY 2020}, author = {Majumder, Binoy and Pandey, Ganesh} } @article {46820, title = {Synthesis of alpha-ketoamides using potassium superoxide (KO2) as an oxidizing agent}, journal = {Tetrahedron}, volume = {76}, year = {2020}, month = {JUN }, pages = {131262}, type = {Article}, abstract = {

A simple and convenient method for the synthesis of alpha-ketoamides by the oxidation of aryl acetamides using potassium superoxide (KO2) as an oxidizing agent is disclosed here. The scope of the developed method is successfully tested with fifteen substrates. In addition, the utility of method has been demonstrated by synthesizing an orexin receptor antagonist, a medicinally interesting compound. (C) 2020 Published by Elsevier Ltd.

}, keywords = {alpha-Ketoamide, Orexin receptor, Oxidation, Potassium superoxide (KO2)}, issn = {0040-4020}, doi = {10.1016/j.tet.2020.131262}, author = {Vasudevan, N. and Routholla, Ganesh and Illa, Giri Teja and Reddy, D. Srinivasa} } @article {46912, title = {Synthesis of artemisinic acid derived glycoconjugates and their anticancer studies}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {MAR}, pages = {2252-2263}, type = {Article}, abstract = {

Glycoconjugates, due to their diverse functions, are widely regarded as biologically important molecules. Artemisinic acid 1 occurs naturally in the plant Artemisia annua and is considered to be the biogenetic precursor of the antimalarial drug, artemisinin 2. We report herein the design and synthesis of diverse artemisinic acid derived glycoconjugates. We have synthesized 12-O-artemisinic acid-glycoconjugates (7a-k) and 12-N-artemisinic acid-glycoconjugates (8a-k) by utilizing Cu(i)-catalyzed azide-alkyne cycloaddition reactions (Click chemistry) with various synthesized sugar azides (6a-k) in good to excellent yields along with two fluorescently labeled compounds, 12-O-artemisinic acid-glycoconjugate 11 and 12-N-artemisinic acid-glycoconjugate 12, to investigate the mode of action of these compounds in biological systems. All the synthesized artemisinic acid glycoconjugates were assayed for their efficacy against the MCF7 cell line. Our anticancer studies indicated that all the synthesized compounds inhibited the growth of MCF7 cells in a dose dependent manner, barring compounds 4 and 7d. However, these compounds exhibit moderate cytotoxicity, as is evident from their IC50 values.

}, issn = {1477-0520}, doi = {10.1039/d0ob00216j}, author = {Kotammagari, Tharun K. and Paul, Sayantan and Barik, Ganesh K. and Santra, Manas K. and Bhattacharya, Asish K.} } @article {46987, title = {Synthesis of deuterated isopentyl pyrophosphates for chemo-enzymatic labelling methods: GC-EI-MS based 1,2-hydride shift in epicedrol biosynthesis (Retraction of Vol 9, Pg 28258, 2019)}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JAN }, pages = {4189}, type = {Retraction}, abstract = {

Retraction of {\textquoteleft}Synthesis of deuterated isopentyl pyrophosphates for chemo-enzymatic labelling methods: GC-EI-MS based 1,2-hydride shift in epicedrol biosynthesis{\textquoteright} by Madhukar S. Said et al., RSC Adv., 2019, 9, 28258-28261.

}, doi = {10.1039/d0ra90009e}, author = {Said, Madhukar S. and Navale, Govinda R. and Gajbhiye, Jayant M. and Shinde, Sandip S.} } @article {46790, title = {Synthesis of diverse nitrogen fused polycyclic dihydroisoquinoline (DHIQ) derivatives via GBB-based cyclic iminium induced double-annulation cascade}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {JUL}, pages = {152101}, type = {Article}, abstract = {

A highly efficient and distinct Bronsted acid-mediated unprecedented cyclic iminium induced double annulation cascade (DAC) protocol for the synthesis of novel dihydroindazolo[30,20:2,3]imidazo[5,1-a]isoquinolinamines has been achieved through the three-component Groebke-Blackburn-Bienayme reaction. The transformation is based on sequential cascade processes involving imine formation followed by an intramolecular nucleophilic substitution to generate a highly reactive cyclic iminium species, which would undergo a rapid [4 + 1] formal cycloaddition steps in one-pot fashion. This strategy provides novel skeletally diverse complex nitrogen fused polycyclic DHIQ derivatives by employing readily available substrates and a simple procedure, which would render this method potentially useful in organic synthesis. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {diversity-oriented synthesis, Excellent yields, GBB-based approach, Novel polycyclic N-fused architecture, Scalable}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2020.152101}, author = {Balwe, Sandip Gangadhar and Vagh, Sandip S. and Jeong, Yeon Tae} } @article {46967, title = {Synthesis of ethyl furfuryl ether (potential biofuel) by etherification of furfuryl alcohol with ethanol over heterogenized reusable H1Cs2PW12O40 catalyst}, journal = {Research on Chemical Intermediates}, volume = {46}, year = {2020}, month = {APR}, pages = {2309-2325}, type = {Article}, abstract = {

{Ethyl furfuryl ether (EFE) considered as potential biofuel can replace petroleum diesel up to 100\%. EFE also has efficient blending properties with biodiesel to improve its cold flow properties. Herein we demonstrate efficient synthesis of EFE by etherification of renewable furfuryl alcohol (FAlc) with ethanol over heterogenized heteropoly acids. Cs-exchanged heterogenized heteropoly acid (H3-xCsxPW12O40

}, keywords = {B, etherification, Ethyl furfuryl ether, Furfuryl alcohol, H3-xCsxPW12O40, Heterogenized heteropoly acid, L ration}, issn = {0922-6168}, doi = {10.1007/s11164-020-04093-z, Early Access Date = FEB 2020}, author = {Mulik, Nagesh L. and Niphadkar, Prashant S. and Bokade, Vijay V.} } @article {46990, title = {Synthesis of high surface area porous carbon from anaerobic digestate and it{\textquoteright}s electrochemical study as an electrode material for ultracapacitors (vol 9, pg 36343, 2019)}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JAN}, pages = {3991}, type = {Correction}, abstract = {

Correction for {\textquoteleft}Synthesis of high surface area porous carbon from anaerobic digestate and it{\textquoteright}s electrochemical study as an electrode material for ultracapacitors{\textquoteright} by Vikash Chaturvedi et al., RSC Adv., 2019, 9, 36343-36350.

}, doi = {10.1039/d0ra90003f}, author = {Chaturvedi, Vikash and Usgaonkar, Saurabh and Shelke, Manjusha V.} } @article {46826, title = {Synthesis of novel of 2, 5-disubstituted 1, 3, 4-oxadiazole derivatives and their in vitro anti-inflammatory, anti-oxidant evaluation, and molecular docking study}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {30}, year = {2020}, month = {JUN}, pages = {127136}, type = {Article}, abstract = {

A series of novel 2, 5-disubstituted 1, 3, 4-Oxadiazole derivatives as a potential anti-inflammatory, and antioxidant agent were synthesized via cyclisation. Hydrazide molecule treated with substituted acids in the presence of phosphorus oxychloride (POCl3) as an efficient reagent as well as solvent by conventional method with shorter reaction time and excellent yield. The newly synthesized 1, 3, 4-oxadiazole derivatives exhibited excellent to good anti-inflammatory and anti-oxidant activities compaired to the standard drugs. Molecular docking study on the crucial anti-inflammatory target-cyclooxygenase-2 (COX-2) revealed the ability of the scaffold to correctly recognize the active site and achieve significant bonded and non-bonded interactions with key residues therein. This study could identify potential compounds which can be pertinent starting points for structure-based drug design to obtain newer anti-inflammatory agents.

}, keywords = {1, 3, 4-Oxadiazole, Anti-inflammatory, Anti-Oxidant, Biological activity, computational chemistry}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2020.127136}, author = {Kashid, Bharat B. and Salunkhe, Pravin H. and Dongare, Balasaheb B. and More, Kishor R. and Khedkar, Vijay M. and Ghanwat, Anil A.} } @article {46873, title = {Synthesis of phospho-polypeptides via phosphate-containing N-carboxyanhydride: application in enzyme-induced self-assembly, and calcium carbonate mineralization}, journal = {ChemPlusChem}, volume = {85}, year = {2020}, month = {MAY}, pages = {1053-1064}, type = {Article}, abstract = {

An easy synthetic strategy was developed to synthesize the phosphate-functionalized amino acid N-carboxyanhydride (NCA), using simple primary amine initiators to obtain homo and block phospho-polypeptides with controlled molecular weight and molecular weight distribution. The methodology was extended to the synthesis of the end-functionalized homo polypeptides (15 to 50 repeat unit) and block co-polypeptides with PEG (0.7 K, 2 K, and 5 K) and glycopolypeptide (15-unit mannose glycopolypeptide) as one of the blocks. The deprotected fully water-soluble anionic phosphate-based polypeptides showed pH-dependent helical conformation with a helical content of 20 \%, which further changed to beta-sheets upon addition of the enzyme alkaline phosphatase (ALP) due to dephosphorylation. The block co-polypeptide containing PEG as one of the blocks led to its self-assembly into colloidal structures, such as vesicles with a hydrodynamic diameter of similar to 250 nm, due to the formation of amphiphilic block co-polymer upon dephosphorylation. The nature of the colloidal structures formed can be temporally controlled by the extent of dephosphorylation. Finally, the phospho-polypeptides serve as a template for the mineralization of calcium carbonate with varying polymorphs and morphologies.

}, keywords = {Biomineralization, enzymes, phosphopolypeptides, Proteins, Self-assembly}, issn = {2192-6506}, doi = {10.1002/cplu.202000322}, author = {Mondal, Basudeb and Das, Soumen and Panda, Sidharth and Dutta, Tahiti and Sen Gupta, Sayam} } @article {46946, title = {Synthesis of silver nanoparticles colloids in imidazolium halide ionic liquids and their antibacterial activities for gram-positive and gram-negative bacteria}, journal = {Chemosphere}, volume = {243}, year = {2020}, month = {MAR}, pages = {125302}, type = {Article}, abstract = {

Four 1-butyl-3-methylimidazolium halide ionic liquids were synthesized via metathesis and anion exchange reactions. Silver nanoparticles (AgNPs) colloids were synthesized in four ionic liquids in the pressurized reactor by reduction of silver nitrate with hydrogen gas, without adding solvents or stabilizing agents. Antibacterial activities of base ionic liquids and AgNPs colloids in ionic liquids were reviewed by well-diffusion method for gram-positive Bacillus cereus (NCIM-2155) and gram-negative Escherichia coli (NCIM-2931) bacteria. Antibacterial activities of ionic liquids and AgNPs colloids in ionic liquids were observed to be controlled by ionic liquids anions and AgNPs particle size. The 1 -butyl-3-methylimidazolium iodide ionic liquid exhibited higher antibacterial activities among the studied ionic liquids. Further, the presence of AgNPs in 1-butyl-3-methylimidazolium iodide, ionic liquid enhanced its antibacterial activity for Bacillus cereus and Escherichia coli bacteria. (C) 2019 Elsevier Ltd. All rights reserved.

}, keywords = {Anion effect, antibacterial activity, Imidazolium halides, ionic liquids, silver nanoparticles}, issn = {0045-6535}, doi = {10.1016/j.chemosphere.2019.125302}, author = {Patil, Virendra and Mahajan, Swapnil and Kulkarni, Mohan and Patil, Kashinath and Rode, Chandrashekhar and Coronas, Alberto and Yi, Gi-Ra} } @article {47688, title = {Safe water and technology initiative for water disinfection: application of natural plant derived materials}, journal = {Journal of Water Process Engineering}, volume = {43}, year = {2021}, month = {OCT}, pages = {102280}, type = {Article}, abstract = {Safe drinking water is the necessity of life. The present study reveals use of natural resources such as plant extracts and natural oils for water disinfection. Differences between oil and water soluble additives were highlighted for plant extracts and insoluble natural oils. A hybrid hydrodynamic cavitation process was quite effective in both the cases and high rates of disinfection were achieved. Studies were reported using oils (ginger, turmeric, lavender, tulsi) and rhizome derived plant extracts such as ginger, turmeric and mango ginger, as additives in process intensification (0.1\% v/V). A vortex based cavitation device (vortex diode, nominal capacity 1 m3/h) was used with pressure drop of 1 bar. A high disinfection of 96\% and 88\% was obtained in 15 min for ginger oil and mango ginger extract respectively as compared to 44\% using cavitation alone. Acoustic cavitation gave 94\% and 30\% disinfection with and without additive-mango ginger extract. The FTIR analyses before and after cavitation, with ginger additive, showed no by-products formation and indicated gingerol as active component in disinfection. The per-pass disinfection values were also higher, up to 5 times than cavitation alone. Hybrid hydrodynamic cavitation using natural plant derived materials can offer a promising technology alternative in water disinfection.}, keywords = {Cavitation, Disinfection, Natural oil, Plant extract, Water treatment}, issn = {2214-7144}, doi = {10.1016/j.jwpe.2021.102280}, author = {Mane, Maya B. and Bhandari, Vinay M. and Ranade, Vivek V.} } @article {47632, title = {Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {SEP}, pages = {5994-6011}, type = {Article}, abstract = {The marketed formulation of pazopanib (PAZ) suffers from low and variable bioavailability because of its poor dissolution rate and photostability issues. The drug falls under Biopharmaceutics Classification System (BCS) class II of low solubility and good permeability. The hydrogen bonds and supramolecular interactions in crystalline forms of PAZ with hydroxybenzoic acids (HBAs) and dihydroxybenzoic acids (DHBAs), as well as its salts are analyzed. Ten X-ray crystal structures of PAZ which include the reference drug, a tetrahydrofuran solvate (PAZ center dot THF) and eight salts with HBAs/DHBAs are reported. There is proton transfer from the carboxylic group of the coformer acid to the most basic nitrogen atom of the 2-aminopyrimidine ring of PAZ in all cases. Two salts were crystallized in neat form, while the remaining six are solvates and hydrates. The crystal structure of PAZ is stabilized by sulfonamide and 2-aminopyrimidine homosynthons of N-HMIDLINE HORIZONTAL ELLIPSISO and N-HMIDLINE HORIZONTAL ELLIPSISN hydrogen bonds in an R2(2)(8) ring motif. PAZ center dot HBA/DHBA salts consistently contain the aminopyridiniumMIDLINE HORIZONTAL ELLIPSIScarboxylate N+-HMIDLINE HORIZONTAL ELLIPSISO- synthon of the R2(2)(8) ring. The sulfonamide homosynthon of PAZ is disrupted in preference to the formation of N-HMIDLINE HORIZONTAL ELLIPSISO and N-HMIDLINE HORIZONTAL ELLIPSISN hydrogen bonds in salt structures. The presence of an additional basic nitrogen atom in the indazole ring of PAZ promotes hydration and solvation through the O-HMIDLINE HORIZONTAL ELLIPSISN hydrogen bond. Whereas the formation of salts is desirable for pharmaceutical formulation, the inclusion of adventitious solvent and/or water molecules with hydroxybenzoic acid coformers in the cocrystal-salt products is a limitation for this class of coformers. The stability problem faced with hydrates and solvates of PAZ center dot HBA/DHBA salts means that their formation must be carried out by strictly anhydrous procedures. The consistent occurrence of the aminopyridiniumMIDLINE HORIZONTAL ELLIPSIScarboxylate N+-HMIDLINE HORIZONTAL ELLIPSISO- ring synthon is discussed in relation to the previous results of Aakeroy, Nangia and Zaworotko groups on similar acid-base multi-component systems.}, doi = {10.1039/d1ce00785h}, author = {Rai, Sunil K. and Baidya, Debjani and Nangia, Ashwini K.} } @article {47101, title = {Scalable and thin film approach for solar hydrogen generation: a review on enhanced photocatalytic water splitting}, journal = {Journal of Materials Chemistry A}, volume = {9}, year = {2021}, month = {JAN}, pages = {1353-1371}, type = {Review}, abstract = {

Although nearly five decades of efforts have gone into solar water splitting (SWS), still success eludes and there is no big breakthrough till date. While huge importance is given either individually or concurrently to the three fundamental steps, namely, light absorption, charge carrier separation and diffusion and charge utilization at redox sites, many aspects that are practically helpful to improve the efficiency are not widely discussed and practised. Nonetheless, by adopting a number of small, but significant changes, solar hydrogen production can be enhanced. The present review discusses such different approaches employed for photocatalytic water splitting reported in the literature. For example, an increase of up to two orders of magnitude in solar hydrogen generation was observed with a film form compared to the particulate form of the same catalyst. Discussion on various approaches of enhanced hydrogen production under sunlight and one sun conditions is the main focus of this review, in particular with thin-film forms. The merits and demerits of thin film and particulate methods, respectively, are addressed in detail. Potential methods and successful stories on scalability are also discussed in the present review. In contrast to charge collection over a long distance in solar cell-based methods, a film-based method discussed shows that the local charge utilisation at a zero applied potential is an attractive feature for SWS. A comparison is provided between the PEC-WS and SWS for solar hydrogen generation, and how far we are from the reality to produce solar hydrogen on an industrial scale. We believe the presently practised diverse evaluation efforts may be truncated to fewer methods such as film-based evaluation and in a focussed manner to tackle the SWS issue towards sustainable production of solar hydrogen.

}, issn = {2050-7488}, doi = {10.1039/d0ta09619a}, author = {Gopinath, Chinnakonda S. and Nalajala, Naresh} } @article {47423, title = {Scalable, sustainable and catalyst-free continuous flow ozonolysis of fatty acids}, journal = {Green Chemistry}, volume = {23}, year = {2021}, month = {MAR}, pages = {2391-2396}, type = {Article}, abstract = {

A simple and efficient catalyst-free protocol for continuous flow synthesis of azelaic acid is developed from the renewable feedstock oleic acid. An ozone and oxygen mixture was used as the reagent for oxidative cleavage of double bond without using any metal catalyst or terminal oxidant. The target product was scaled up to more than 100 g with 86\% yield in a white powder form. Complete recycling and reuse of the solvent were established making it a green method. The approach is significantly energy efficient and also has a very small chemical footprint. The methodology has been successfully tested with four fatty acids making it a versatile platform that gives value addition from renewable resources.

}, issn = {1463-9262}, doi = {10.1039/d0gc04021e}, author = {Atapalkar, Ranjit S. and Athawale, Paresh R. and Reddy, D. Srinivasa and Kulkarni, Amol A.} } @article {47674, title = {Seed-mediated growth of Pt on high-index faceted Au nanocrystals: the ag lining and implications for electrocatalysis}, journal = {ACS Applied Nano Materials}, volume = {4}, year = {2021}, month = {SEP }, pages = {9155-9166}, type = {Article}, abstract = {Bimetallic Au@Pt nanocrystals (NCs) offer a unique combination of plasmonic and catalytic properties and are a growing field of research. Herein, we report an unusual observation in the behavior of silver ions (Ag+) which was found to play a dominant role in dictating the Pt deposition in a seed-mediated growth method. {\textquoteleft}While the literature is replete with various instances of Ag-assisted Pt deposition whereby higher concentration of Ag+ translates into a thicker Pt shell, in the present study, contradictory observations were made. In the presence of lower amounts of Ag+, thick Pt shells were visualized, while at higher concentrations of Ag+, the extent of Pt deposition via the galvanic replacement reaction was reduced. Additionally, the presence of Ag was deemed necessary for the Pt deposition to take place, either in the form of an underpotential deposition layer on the Au NCs or by introducing Ag+ in the growth solution. We have demonstrated our findings on two different Au NCs enclosed with high-index facets, concave cuboid, and elongated tetrahexahedra, which mirror similar observations and provide generality to our claim. To the best of our knowledge, the time required for Pt deposition on the Au core in the present work is the least among the reported seed-mediated routes. Furthermore, this work, besides presenting a facile and general route for the amalgamation of catalytic and plasmonic properties in hybrid Pt-Au NCs, sheds light on the mechanistic aspects of Ag-assisted wet-chemical generation of bimetallic Au@Pt NCs. The overall electrocatalytic performance of our Au@Pt NCs toward the oxygen reduction reaction was realized to be impressive.}, keywords = {bimetallic nanostructure, galvanic replacement reaction, high-index facet, oxygen reduction reaction, seed-mediated growth, underpotential deposition}, doi = {10.1021/acsanm.1c01714}, author = {Roy, Debashree and Rajendra, Ranguwar and Gangadharan, Pranav K. and Pandikassala, Ajmal and Kurungot, Sreekumar and Ballav, Nirmalya} } @article {47309, title = {Selective deoxygenation of fatty acids to fuel-range hydrocarbons over Pt-MOx/ZrO2 (M = Mo and W) catalysts}, journal = {Catalysis Today}, volume = {375}, year = {2021}, month = {SEP}, pages = {174-180}, type = {Article}, abstract = {

A comparative catalytic activity study of Pt-MoOx/ZrO2\ and Pt-WOx/ZrO2\ for deoxygenation of oleic acid (OA) forming fuel-range, linear hydrocarbons is reported. These catalysts (with 4 wt\% Pt and 8 wt\% Mo or W) were prepared by a sequential wet-impregnation method and characterized for the structural and electronic properties. Pt-MoOx/ZrO2\ showed higher catalytic activity than Pt-WOx/ZrO2. Hydrodeoxygenation was the selective pathway over these bifunctional catalysts yielding n-octadecane. High conversion of OA was achieved at 200 {\textdegree}C itself. On the contrary, monometallic Pt/ZrO2\ was weakly active. It was selective mainly toward decarboxylation/decarbonylation producing n-heptadecane. Higher amounts of Pt and metal oxide in reduced forms are responsible for the high hydrodeoxygenation activity and selectivity of these reusable, bimetallic catalysts.

}, doi = {10.1016/j.cattod.2020.04.020}, author = {Janampelli, Sagar and Darbha, Srinivas} } @article {47691, title = {Separation of a diastereomeric diol pair using the mechanical properties of crystals}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {OCT}, pages = {7056-7060}, type = {Article}, abstract = {We report the separation of a (2S,3R/S)-3-ethyl-1-phenylhex-5-ene-2,3-diol (ephd) diastereomeric pair with visually indistinguishable acicular morphologies based on their mechanical responses, which is found to be more efficient than conventional separation methods. Furthermore, the molecular crystals of (2S,3R)-ephd show elastic deformation, while (2S,3S)-ephd fractures in a brittle manner under similar conditions.}, doi = {10.1039/d1ce01055g}, author = {Gamidi, Rama Krishna and Dandawate, Monica and Choudhury, Rahul and Tothadi, Srinu and Nangia, Ashwini and Reddy, D. Srinivasa} } @article {47427, title = {Short enantioselective total synthesis of (+)-tofacitinib}, journal = {Tetrahedron Letters}, volume = {67}, year = {2021}, month = {MAR}, pages = {152838}, type = {Article}, abstract = {

An enantioselective total synthesis of Tofacitinib (CP-690,550), a Janus tyrosine kinase (JAK3) specific inhibitor has been achieved from the readily available 4-piperidone. Proline catalysed hydroxylation is the key step for the synthesis of enantiopure 1-benzyl-4-methylpiperidin-3-ol. (C) 2021 Elsevier Ltd. All rights reserved.

}, keywords = {aminohydroxylation, Hydrogenation, L-proline, piperidone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2021.152838}, author = {Mane, Kishor D. and Kamble, Rohit B. and Suryavanshi, Gurunath} } @article {47345, title = {Significance of secondary forces toward improving the charge carrier mobility of Isoindigo based conjugated small molecules}, journal = {Chemical Physics Letters}, volume = {774}, year = {2021}, month = {JUL}, pages = {138621}, type = {Article}, abstract = {

The charge carrier mobility of conjugated small molecules (CSMs) depends on the intermolecular interactions and morphology. Herein, we report the synthesis of CSMs having different side chains. Hydrogen bonding, lipophilic imbalance and van der Waals interactions are imparted through the asymmetric substitution of Isoindigo. The secondary forces impact thin film morphology, and charge carrier mobility. The CSMs having van der Waals interaction further shows higher charge carrier mobility as a function of improved morphology, and increased temperature. The highest mobility of 0.15 cm2/Vs has been achieved for CSMs with van der Waals interaction.

}, keywords = {Conjugated small molecules, Isoindigo, mobility, OFET, Secondary force}, issn = {0009-2614}, doi = {10.1016/j.cplett.2021.138621}, author = {Dharmapurikar, Satej S. and Kashmir, Arulraj Arul and Kumari, Tanya and Kalalawe, Virbhadra and Kanetkar, Maruti and Chini, Mrinmoy Kumar} } @article {47405, title = {Silk fibroin and ceramic scaffolds: comparative in vitro studies for bone regeneration}, journal = {Bioengineering \& Translational Medicine}, year = {2021}, month = {APR}, pages = {e10221}, type = {Article; Early Access}, abstract = {

Synthetic bone void fillers based on calcium ceramics are used to fill cavities in the bone and promote bone regeneration. More recently, silk fibroin (SF), a protein polymer obtained from Bombyx mori silkworm, has emerged as a promising material in bone void filling. In this work, we have compared the safety and efficacy of two types of silk fibroin-based bone void fillers with currently used and commercially available ceramic bone void fillers (based on calcium sulphate, beta tricalcium phosphate, and beta tricalcium phosphate with hydroxyapatite). Further, we have also evaluated these two types of SF scaffolds, which have strikingly different structural attributes. The biocompatibility of these scaffolds was comparable as assessed by cytotoxicity assay, cellular adhesion assay, and immunogenic assay. Ability of the scaffolds to support differentiation of human mesenchymal stem cells (hMSCs) into an osteoblastic lineage was also evaluated in an in vitro differentiation experiment using reverse transcriptase polymerase chain reaction analysis. These results revealed that cells cultured on SF scaffolds exhibit higher expression of early to late markers such as Runx2, BMPs, collagen, osterix, osteopontin, and osteocalcin as compared with ceramic-based scaffolds. This observation was further validated by studying the expression of alkaline phosphatase and calcium deposition. We also show that scaffolds made from same material of SF, but characterized by very different pore architectures, have diverse outcome in stem cell differentiation.

}, keywords = {beta tricalcium phosphate, bone regeneration, bone void filler, calcium sulphate, hMSCs, hydroxyapatite, osteoblasts, scaffold, Silk fibroin}, doi = {10.1002/btm2.10221, Early Access Date = APR 2021}, author = {Deshpande, Rucha and Shukla, Swati and Sayyad, Raeesa and Salunke, Shalmali and Nisal, Anuya and Venugopalan, Premnath} } @article {47580, title = {Single-pot alcoholysis of furfuryl alcohol to alkyl levulinates using heterogenized p-TSA catalyst**}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {JUL }, pages = {6636-6643}, type = {Article}, abstract = {Synthesis of levulinate esters which are known to be excellent sustainable fuel additives, was achieved by alcoholysis of furfuryl alcohol over strong solid acid catalyst, prepared by copolymerization of p-toluenesulfonic acid with paraformaldehyde. Our catalyst possessed Bronsted acidity (3 mmol/g) with an excellent stability up to 220 degrees C. XPS, FT-IR and Pyridine-IR along with microanalysis studies confirmed the presence of terminal -SO3H functional groups responsible for Bronsted acidity in the catalyst. The catalyst was found to efficiently catalyze the alcoholysis of furfuryl alcohol to give alkyl levulinates under mild reaction conditions. The complete conversion of furfuryl alcohol with 96 \% and 97 \% selectivities to ethyl and butyl levulinates could be achieved using ethanol and butanol, respectively. Detailed study on effect of various reaction parameters like catalyst loading, reaction time and reaction temperature on conversion and product distribution was also carried out for the ethanolysis of furfuryl alcohol to ethyl levulinate. The catalyst could be easily recovered and recycled for five times successfully, with no loss in its original activity.}, keywords = {Biomass, ethyl levulinate, Fuel additive, Furfuryl alcohol, heterogeneous catalysis}, issn = {2365-6549}, doi = {10.1002/slct.202101392}, author = {Patil, Chetana R. and Kamble, Sanjay P. and Rode, Chandrashekhar V.} } @article {47459, title = {Slip behavior during pressure driven flow of Laponite suspension}, journal = {Physics of Fluids}, volume = {33}, year = {2021}, month = {MAY}, type = {Article}, abstract = {

We investigate pressure driven pipe flow of Laponite suspension, as a model thixotropic fluid. The tendency of the suspension to age is controlled by addition of sodium chloride salt to vary the ionic strength. We use a syringe pump to prescribe the flow and observe that a steady state flow is obtained. Unusually, the steady state pressure drop required to maintain a constant flow rate decreases with an increase in the flow rate, in qualitative contrast to the expectation for Poiseuille flow. We demonstrate that experimental results obtained by varying the flow rate, salt concentration, and flow geometry (pipe diameter and length) can be collapsed onto a single universal curve that can be rationalized by invoking slip of the suspension at the tube walls. The Laponite suspension exhibits plug-like flow, yielding at the tube walls. Our results suggest that the slip length varies linearly with the flow rate and inversely with the tube diameter.

}, doi = {10.1063/5.0051044}, author = {Kamdi, Prophesar M. and Orpe, Ashish V. and Kumaraswamy, Guruswamy} } @article {47695, title = {Solvent extraction of copper enhanced by mixing cavities in micromixer}, journal = {Solvent Extraction Research and Development-Japan}, volume = {28}, year = {2021}, month = {JUL}, pages = {37-47}, type = {Article}, abstract = {A Y micromixer with a macroscopic mixing cavity at the inlet junction was developed. The effects of the mixing cavity on the improvement of extraction of copper by LIX 841 were investigated. The investigated parameters and their ranges were: overall flow rate: 10 - 200 mL/min; microchannel size: 0.5 - 1 mm and mixing cavity diameter: 5 - 20 mm. Extraction efficiency, volumetric mass transfer coefficient, kinetics and pressure drop were investigated. The extraction efficiency and the volumetric mass transfer coefficient in the cavity micromixer were significantly higher than the Y micromixer. The volumetric mass transfer coefficient ranged between 1 - 93 s(-1), and the pressure drop between 50 - 500 kPa. The residence time required in the micromixers was two orders of magnitude lesser than that of an agitated batch reactor.}, issn = {1341-7215}, doi = {10.15261/serdj.28.37}, author = {Sheik, Abdul Rauf and Kulkarni, Amol A. and Sanjay, Kali} } @article {47377, title = {Solvent free, environment benign synthesis of 1,4-dihydropyridines and polyhydroquinolines by using heterogeneous Zn/MCM-41 catalyst}, journal = {Research on Chemical Intermediates}, volume = {47}, year = {2021}, month = {AUG}, pages = {3263-3287}, type = {Article}, abstract = {

Heterogeneous catalysis has been utilized in number of efficient reactions with higher selectivity of the product, more stable, reusable and easy for separation as compared to homogeneous catalysts. Generally, heterogeneous catalysts are prepared by using mesoporous materials, microporous materials, metal oxides and metal organic framework. The mesoporous materials have small particle size and high surface area as compared to the microporous materials. The adsorbent mesoporous materials have highly efficient for the therapeutic applications in chemistry hence it has best as compared to other heterogeneous materials. Herein, we have reported synthesis of 1,4-dihydropyridines and polyhydroquinolines at solvent free and environmental benign condition in the presence of Zn/MCM-41 catalyst. The present protocol gives excellent yield (89-96\%) of the product within short reaction time by easy work up procedure and no need of further purification of product. The catalyst was characterized by XRD diffractometer, SEM, EDAX, TGA-DTA, BET surface area analysis and FT-IR Spectroscopy. The synthesized organic compounds were characterized by FT-IR, H-1 NMR, C-13 NMR, LC-MS spectrometry.

}, keywords = {High activity, High selectivity, mesoporous materials, microporous materials, Reusability of catalyst}, issn = {0922-6168}, doi = {10.1007/s11164-021-04473-z, Early Access Date = APR 2021}, author = {Dhengale, Shankar D. and Naik, Vaibhav M. and Kolekar, Govind B. and Rode, Chandrashekhar V. and Anbhule, Prashant V.} } @article {47442, title = {Spatio-temporal resolution of taxonomic and functional microbiome of Lonar soda lake of India reveals metabolic potential for bioremediation}, journal = {Chemosphere}, volume = {264}, year = {2021}, month = {FEB}, pages = {128574}, type = {Article}, abstract = {

Lonar Lake, India; a hypersaline and hyperalkaline extremophilic ecosystem having a unique microbial population has been rarely explored for bioremediation aspects. MinION-based shotgun sequencing was used to comprehensively compare the microbial diversity and functional potential of xenobiotic degradation pathways with seasonal changes. Proteobacteria and Firmicutes were prevalent bacterial phyla in the pre-monsoon and post-monsoon samples. Functional analysis from SEED-subsystem and KEGG database revealed 28 subsystems and 18 metabolic pathways for the metabolism of aromatic compounds and xenobiotic biodegradation respectively. Occurrence of N-phenyl alkanoic, benzoate, biphenyl, chloroaromatic, naphthalene, and phenol degradation genes depicted varied abundance in the pre-monsoon and post-monsoon samples. Further, KEGG analysis indicated nitrotoluene degradation pathway (ko00633) abundant in post-monsoon samples, and the benzoate degradation pathway (ko00362) predominant in 19LN4S (pre-monsoon) than 18LN7S (post-monsoon) samples. The abundant genes for benzoate degradation were pcaI: 3-oxoadipate CoA-transferase, alpha subunit, pcaH: protocatechuate 3,4-dioxygenase, beta subunit, and pcaB: 3-carboxy-cis, cis-muconate cycloisomerase, and 4-oxalocrotonate tautomerase. This metagenomic study provides a unique blueprint of hitherto unexplored xenobiotic biodegradation genes/pathways in terms of seasonal variations in the Lonar Lake, and warrants active exploitation of microbes for bioremediation purposes.

}, doi = {10.1016/j.chemosphere.2020.128574}, author = {Chakraborty, Jaya and Rajput, Vinay and Sapkale, Vibhavari and Kamble, Sanjay and Dharne, Mahesh} } @article {47744, title = {Stabilization of Azapeptides by N-amide center dot center dot center dot H-N-amide Hydrogen Bonds}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {JUL }, pages = {4949-4954}, type = {Article}, abstract = {An unusual N-amide center dot center dot center dot H-Namide hydrogen bond (HB) was previously proposed to stabilize the azapeptide beta-turns. Herein we provide experimental evidence for the N-amide center dot center dot center dot H-Namide HB and show that this HB endows a stabilization of 1-3 kcal.mol(-1) and enforces the trans-cis-trans (t-c-t) and cis-cis-trans (c-c-t) amide bond conformations in azapeptides and N-methyl-azapeptides, respectively. Our results indicate that these N-amide center dot center dot center dot H-Namide HBs can have stabilizing contributions even in short azapeptides that cannot fold to form beta-turns.}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c01111}, author = {Baruah, Kalpita and Sahariah, Biswajit and Sakpal, Sushil S. and Deka, Jugal Kishore Rai and Bar, Arun Kumar and Bagchi, Sayan and Sarma, Bani Kanta} } @article {47714, title = {Stabilization of the elusive antimony(I) cation and its coordination complexes with transition metals}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {NOV}, pages = {25522-25529}, type = {Article}, abstract = {Upon stabilization by 5,6-bis(diisopropylphosphino)acenaphthene to form compound 1, the fugitive antimony (I) cation exhibited nucleophilic behavior towards coinage metals. Compound 1 was strategically synthesized at room temperature from SbCl3, the bis(phosphine), and trimethylsilyl trifluoromethanesulfonate taken in a 1:2:3 ratio, whereby the bis(phosphine) plays the dual role of a reductant and a supporting ligand. The generation of 1 involves two-electron oxidation of the ligand to form a P-P bonded diphosphonium dication. Compound 1 was separated from this dication to give both products in pure form in moderate yields. Despite the overall positive charge, the Sb-I site in 1 was found to bind to metal centers, forming complexes with Au-I, Ag-I and Cu-I. Compound 1 reduced Cu-II to Cu-I and formed a coordination complex with the resulting Cu-I species. The effects of the electron-rich bis(phosphine) and the constrained peri geometry in stabilizing and enhancing the nucleophilicity of 1 have been rationalized through computational studies.}, keywords = {antimony(I) cation, coordination modes, nucleophilicity, phosphine ligands, reduction}, issn = {1433-7851}, doi = {10.1002/anie.202111339}, author = {Kumar, Vikas and Gonnade, Rajesh G. and Yildiz, Cem B. and Majumdar, Moumita} } @article {47659, title = {Stereoselective total synthesis of (+/-)-pleurospiroketals A and B}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {OCT }, pages = {13572-13582}, type = {Article}, abstract = {A full account of our efforts toward the stereoselective total synthesis of sesquiterpenoid-derived natural products (+/-)-pleurospiroketals A and B is described. Commercially available 3-methyl-2-cyclohexenone and 2,2-dimethyloxirane were used as key building blocks, and the substrate-controlled stereoselection was exploited to access the entire stereochemistry of these natural products. Initially, a planned synthetic route involving a [6,5]-bicyclic lactone intermediate was found to be insurmountable, and the later strategy comprising OsO4-NMO-mediated dihydroxylation of 3-methyl-2-cyclohexenone, followed by Luche reduction, Eschenmoser methylenation, and Bronsted acid-induced spiroketalization steps, was ultimately identified as the reliable strategy.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c01634}, author = {Thorat, Sagar S. and Krishna, Gamidi Rama and Kontham, Ravindar} } @article {47363, title = {Strategies for the synthesis of furo-pyranones and their application in the total synthesis of related natural products}, journal = {Organic Chemistry Frontiers}, volume = {8}, year = {2021}, month = {MAY}, pages = {2110-2162}, type = {Review}, abstract = {

The furo-pyranone framework is widely present in the molecular structure of various biologically potent natural products and un-natural small molecules, and it represents a valuable target in synthetic organic chemistry and medicinal chemistry. In the last five decades, numerous innovative synthetic methodologies have been disclosed for these bis-oxacyclic fused heterocycles, expanding the scope of accessible building blocks, efficient and affordable catalysis, facile reaction conditions, and overall practicality of the process. In this comprehensive review article, we focus on showcasing the complete spectrum (from the first report in the 1970s to the latest disclosure in 2020) of efforts devoted towards the synthesis of diverse classes of furo-pyranones through systematization and critical analysis of the accumulated experimental knowledge and their elegant applications in total syntheses of biologically interesting related natural products.

}, issn = {2052-4129}, doi = {10.1039/d0qo01421d}, author = {Thorat, Sagar S. and Kontham, Ravindar} } @article {47785, title = {Structural and computational investigation of an imine-based propeller-shaped macrocyclic cage}, journal = {SN Applied Sciences}, volume = {3}, year = {2021}, month = {FEB}, type = {Article}, abstract = {In this study, we present the synthesis, spectroscopic and structural characterization of self-assembling gem-dimethyl imine based molecular cage (IMC). Self-assembling macrocycles and cages have well-defined cavities and have extensive functionalities ranging from energy storage, liquid crystals, and catalysts to water splitting photo absorber. IMC has large voids i.e., 25\% of the total crystal volume thus could accommodate wide substrates. The synthesized imine-based molecular cages are stabilized by coaxial π bonded networks and long-range periodic van der Waal and non-bonded contacts as observed from the crystal structure. IMC also has typical properties of soft condensed matter materials, hence theoretical prediction of stress and strain tensor along with thermophysical properties were computed on crystal system and were found to be stable. Molecular dynamics revealed IMC is stabilized by, strong interactions between the interstitial phenyl rings. Density functional theory (DFT) based physicochemical properties were evaluated and has band gap of around 2.38ev (520 nm) similar to various photocatalytic band gap materials.}, doi = {10.1007/s42452-021-04255-7}, author = {Madhu, Suresh and Raghavan, Sriram} } @article {47693, title = {Structure-property correlation of halogen substituted benzothiazole crystals}, journal = {Journal of Molecular Structure}, volume = {1243}, year = {2021}, month = {NOV }, pages = {130765}, type = {Article}, abstract = {We have synthesized 3 benzothiazole crystals (1-3) based on existing knowledge of combining flexibility and optical properties towards achieving applications for flexible optoelectronics. However, one crystal was found to be elastically bendable and was found to comply necessary packing features for elasticity. Other two crystals do not obey packing features for elasticity hence they are brittle in nature. Further, Hirshfeld analysis illustrates that elastic crystal 1 possess more number of weak and dispersive interactions compared to other crystals. These interactions were instrumental in invoking elasticity. Moreover, crystals 1-3 were found to be fluorescent as well at specific excitation wavelengths. Therefore, among these crystals, particularly crystal 1 is considered as more promising candidate for flexible optoelectronics. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Benzothiazole crystals, Elasticity, Halogen bond, mechanical properties}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2021.130765}, author = {Thekkeppat, Nipun P. and Singla, Labhini and Tothadi, Srinu and Das, Priyadip and Choudhury, Angshuman Roy and Ghosh, Soumyajit} } @article {47729, title = {Structure-tailored non-noble metal-based ternary chalcogenide nanocrystals for pt-like electrocatalytic hydrogen production}, journal = {ChemSusChem}, volume = {14}, year = {2021}, month = {AUG }, pages = {3074-3083}, type = {Article}, abstract = {A facile microwave-assisted strategy was employed to synthesize Ni3Bi2S2 nanocrystals. Variation in the synthesis conditions tuned the composition of monoclinic and orthorhombic phases of Ni3Bi2S2. The electrochemical hydrogen evolution activity of the catalyst with highest percentage of monoclinic phase demonstrated a negligible onset potential of only 24 mV close to that of state-of-the-art Pt/C with an overpotential as low as 88 mV. Density functional theory calculations predicted the monoclinic phase exhibit the lowest adsorption free energy corresponding to hydrogen adsorption (Delta GadsH*) and, therefore, the highest hydrogen evolution activity amongst the considered phases. The quasi-2D structure of monoclinic phase facilitated an increased charge-transfer between Ni and Bi, favoring the downward shift of the d-band center to enhance the catalytic activity.}, keywords = {charge transfer, electrocatalysis, hydrogen evolution reaction, Nanomaterials, ternary chalcogenides}, issn = {1864-5631}, doi = {10.1002/cssc.202100967}, author = {Sarkar, Shreya and Rawat, Abhishek and Das, Tisita and Gaboardi, Mattia and Chakraborty, Sudip and Vinod, C. P. and Peter, Sebastian C.} } @article {47429, title = {Study of combinatorial drug synergy of novel acridone derivatives with temozolomide using in-silico and in-vitro methods in the treatment of drug-resistant glioma}, journal = {Frontiers in Oncology}, volume = {11}, year = {2021}, month = {MAR}, pages = {625899}, type = {Article}, abstract = {

Drug resistance is one of the critical challenges faced in the treatment of Glioma. There are only limited drugs available in the treatment of Glioma and among them Temozolomide (TMZ) has shown some effectiveness in treating Glioma patients, however, the rate of recovery remains poor due to the inability of this drug to act on the drug resistant tumor sub-populations. Hence, in this study three novel Acridone derivative drugs AC2, AC7, and AC26 have been proposed. These molecules when combined with TMZ show major tumor cytotoxicity that is effective in suppressing growth of cancer cells in both drug sensitive and resistant sub-populations of a tumor. In this study a novel mathematical model has been developed to explore the various drug combinations that may be useful for the treatment of resistant Glioma and show that the combinations of TMZ and Acridone derivatives have a synergistic effect. Also, acute toxicity studies of all three acridone derivatives were carried out for 14 days and were found safe for oral administration of 400 mg/kg body weight on albino Wistar rats. Molecular Docking studies of acridone derivatives with P-glycoprotein (P-gp), multiple resistant protein (MRP), and O6-methylguanine-DNA methyltransferase (MGMT) revealed different binding affinities to the transporters contributing to drug resistance. It is observed that while the Acridone derivatives bind with these drug resistance causing proteins, the TMZ can produce its cytotoxicity at a much lower concentration leading to the synergistic effect. The in silico analysis corroborate well with our experimental findings using TMZ resistant (T-98) and drug sensitive (U-87) Glioma cell lines and we propose three novel drug combinations (TMZ with AC2, AC7, and AC26) and dosages that show high synergy, high selectivity and low collateral toxicity for the use in the treatment of drug resistant Glioma, which could be future drugs in the treatment of Glioblastoma.

}, keywords = {acridone derivatives, drug combinations, drug resistance, Glioma, mathematical model, synergy index}, issn = {2234-943X}, doi = {10.3389/fonc.2021.625899}, author = {Chakravarty, Malobika and Ganguli, Piyali and Murahari, Manikanta and Sarkar, Ram Rup and Peters, Godefridus Johannes and Mayur, Y. C.} } @article {47394, title = {Study of growth kinetics of Fe3Se4 nanocrystallites and the influence of size and shape tunability on their magnetic properties}, journal = {Journal of Physical Chemistry C }, volume = {125}, year = {2021}, month = {APR}, pages = {7932-7943}, type = {Article}, abstract = {

Crystalline iron selenide (Fe3Se4) nanoparticles (NPs) present a useful model system for a fundamental understanding of magnetism apart from having potential applications in permanent-magnet-related technologies. Despite significant advancements in understanding of the nucleation and growth processes, control over size and shape tunability is nontrivial, especially for the transition metal chalcogenides (TMC). The Wulff theorem states that if a crystal can grow purely under thermodynamic control of parameters then it will adopt the shape determined by the surface-energy minimization, i.e., the surface energy minimization will drive the growth of each crystalline facet. However, the known or unknown, controllable or uncontrollable parameters of a typical reaction which makes kinetic growth more art than science, depending upon whether we understand them or not. There is hardly any study based on existing models and theories to explain the TMC morphology evolution. In this work, there is a conscious effort to know, understand, and control the individual role of various reaction pathways on the shape and size of the Fe3Se4 nanocrystals. A qualitative growth mechanism is proposed based on the diffusion and reaction processes. Furthermore, the influence of shape/size on the magnetic parameters such as coercivity (H-C), magnetization (M-60kOe), effective magnetic anisotropy constant (K-eff), energy product (BHmax), and average blocking temperature (T-B) is investigated for Fe3Se4 NPs. After diving deeper into the science of crystal growth, our insight provides valuable guidance on experimental conditions for the synthesis of Fe3Se4 NPs with tunable sizes/shapes which for the first time can be extended to most TMCs.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.1c00389}, author = {Ghalawat, Monika and Poddar, Pankaj} } @article {47733, title = {Study on the failure of guide ropes used in mines}, journal = {Insight}, volume = {63}, year = {2021}, month = {JUN}, pages = {357-361}, type = {Article}, abstract = {The skips/cages in mine hoisting have to be guided to achieve high hoisting rates. Steel guide ropes are used in hoisting because they can safely guide the skips/cages and have been observed to be economical. Guide ropes are static in nature and are thus more prone to corrosion. An investigation into the causes of failure of a guide rope is discussed in this paper. The study consists of physical examination, examination of wear and corrosion, macro- and micro- examination, examination of the breaking load and individual tensile strength measurement of the rod. The main cause of failure is found to be corrosion. Heavy abrasion and corrosion together causes a substantial reduction in diameter of more than 60\%. Corrosion raises the stress level and thereby weakens the grains, which is indicated by the cracks that have developed all along the grains as revealed through micro-examination. This affects the breaking strength and reveals a 37\% loss of strength, as a result of which failure occurs.}, keywords = {corrosion on steel guide rope, guide rope failure, steel guide rope, wear}, issn = {1354-2575}, doi = {10.1784/insi.2021.63.6.357}, author = {Singh, M. K. and Mallick, M. and Verma, M. K.} } @article {47661, title = {Substrate augmented catalytic activity towards NRR: a case study of Li doped Al clusters on defective graphene}, volume = {566}, year = {2021}, month = {NOV}, pages = {150586}, type = {Article}, abstract = {Density Functional Theory (DFT) based methods are applied to examine the potential of lithium doped aluminium clusters consisting of 3-13 atoms for dinitmgen molecule activation in terms of N N bond length, redshift in N N bond stretching frequency, nitrogen interaction energy and frontier molecular orbitals analysis. The present work highlights the role of monovacant C-3 defective graphene as a support in fine tuning the catalytic activity of Li doped Al clusters for reduction of N-2. Fundamental insights to synergic binding of clusters with defective graphene is brought out and its role in enhancing activation of dinitmgen molecule is explained. Supported Aln-1Li clusters with six or more atoms are noted to be more active towards N-2 molecule activation as compared to the clusters without support. Dinitrogen molecule undergoes a maximum bond elongation of 1.56 angstrom corresponding to redshift of 1690 cm(-1) on Al7Li@graphene and Al12Li@graphene. This is maximum value reported in context of activation for N-2 molecule till date.}, keywords = {Al clusters, Al12Li, C-3 defective graphene, DFT, Li Doping, N-2 activation, Red-shift}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.150586}, author = {Samal, Pragnya Paramita and Poonam and Krishnamurty, Sailaja} } @article {47382, title = {Substrate, catalyst, and solvent: the triune nature of multitasking reagents in hydroboration and cyanosilylation}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {APR}, pages = {1104-1112}, type = {Article}, abstract = {

A truly green chemical process would avoid the use of an external catalyst, while still achieving high efficiency. This has been realized in the very recent past for hydroboration, cyanosilylation, acetalization, and the aza-Michael addition, among other reactions. The current combined computational and experimental study unlocks the secret to how this highly desirable outcome is accomplished: one of the reactants in the process also acts as the catalyst. Specifically, this is shown (i) for the important hydroboration reaction, with pinacolborane (HBpin) as the hydroborating reagent and benzaldehyde, acetophenone, benzoic acid and p-methoxyphenylacetylene as the hydroborated substrates, and (ii) for cyanosilylation, with trimethylcyanosilane (TMSCN) as the cyanosilylating agent and benzaldehyde as the substrate. The mechanistic understanding thus gained has then been further exploited experimentally to bring hydroboration and cyanosilylation closer to experimental conditions in catalysis. These insights can potentially be expanded to the rapidly growing area of solvent-free and internal catalyst chemistry.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00070}, author = {Dixit, Ruchi and Bisai, Milan Kumar and Yadav, Sandeep and Yadav, Vinita and Sen, Sakya S. and Vanka, Kumar} } @article {47603, title = {Sulfonated polyvinyl alcohol ionomer membrane favoring smooth electrodeposition of zinc for aqueous rechargeable zinc metal batteries}, journal = {Sustainable Energy \& Fuels}, volume = {5}, year = {2021}, month = {OCT}, pages = {5557-5564}, type = {Article}, abstract = {One of the failure mechanisms of aqueous rechargeable zinc metal batteries (AZMBs) involves high surface area zinc (HSAZ)/dendrite-like deposits over the Zn-metal anode during long-term cycling. Negatively charged (anionic) polymeric ionomer electrolyte membranes and separators are known for suppressing the dendrite-/HSAZ-induced failure of AZMBs. However, the preparation of cost-effective and non-fluorinated ionomers from cheap and environmentally friendly polymers is essential to leverage the feasibility of AZMBs. The current work demonstrates the potential of an ionomer electrolyte membrane (P-AS-C-Zn) made by the crystallization-induced physical cross-linking of sulfonated poly (vinyl alcohol) (PVS) and poly (vinyl alcohol) (PVA) as a dendrite-/HSAZ-inhibiting separator for AZMBs. The P-AS-C-Zn membranes exhibited excellent Zn plating/stripping behavior with a stable voltage vs. time profile beyond 1100 h, compared to their neutral PVA-C-Zn counterpart without any ionomer character (cell failure at close to 280 h). Applying the optimized P-AS-C-Zn membrane in a MnO2||Zn full cell helps retain about 50\% of the initial capacity close to 600 cycles in the absence of extra manganese salt in the electrolyte, which is indeed promising.}, issn = {2398-4902}, doi = {10.1039/d1se00865j}, author = {Vijayakumar, Vidyanand and Torris, Arun and Kurian, Maria and Mathew, Megha Mary and Ghosh, Meena and Khairnar, Ajay B. and Badiger, Manohar V. and Kurungot, Sreekumar} } @article {47091, title = {Sulfonic acid-functionalized heterogeneous catalytic materials for efficient biodiesel production: a review}, journal = {Journal of Environmental Chemical Engineering}, volume = {9}, year = {2021}, month = {FEB}, pages = {104719}, type = {Review}, abstract = {

The development of social productive forces leads to the increasing consumption of fossil fuels. However, the burning of traditional fossil fuels releases huge amounts of carbon emissions into the atmosphere, resulting in drastically increased global surface temperatures, and hence, global warming and abnormal climate change. Biodiesel, which can be produced by (trans)esterification of bio-oils using solid acid catalysts, is recognized as renewable and clean energy, alternative to fossil-derived diesel, and it can meet society{\textquoteright}s requirements. This review describes the catalytic conversion of bio-derived oils into biodiesel using various sulfonic acid-functionalized heterogeneous catalytic materials that show higher catalytic efficiency and superior recyclability. Besides, various methods of biodiesel preparation and the appropriate design and preparation of robust and efficient catalytic materials for biodiesel production were provided. Finally, the mechanisms of different catalytic esterification and transesterification reactions for biodiesel synthesis, the relevant reaction kinetic models, and techno-economic analysis of biodiesel production were critically discussed in this review.

}, keywords = {(Trans)esterification, Biodiesel, heterogeneous catalysis, kinetic study, solid acid}, doi = {10.1016/j.jece.2020.104719}, author = {Tan, Xiang and Sudarsanam, Putla and Tan, Jinyu and Wang, Anping and Zhang, Heng and Li, Hu and Yang, Song} } @article {47443, title = {Supercapacitive performance of SILAR grown Mn3O4 nanoclusters: effect of cationic precursor concentration}, journal = {Chinese Journal of Physics}, volume = {72}, year = {2021}, month = {AUG}, pages = {145-158}, type = {Article}, abstract = {

Herein, we have investigated the effect of cationic precursor (manganese chloride tetrahydrate) concentration on the electrochemical performance of successive ionic layer adsorption and reaction (SILAR)-deposited Mn3O4\ thin films. The concentration of the cationic precursor was varied from 0.05 to 0.15 M, and its effect on physicochemical and electrochemical properties was studied. X-ray diffraction and X-ray photoelectron spectroscopy analyses confirmed that Mn3O4\ has a tetragonal structure with Mn2+\ and Mn3+\ oxidation states. SEM micrographs revealed that nanoclusters of Mn3O4\ with an average size of ~200 nm were formed. Moreover, transmission electron microscopy analysis revealed that these nanoclusters were formed from tiny square nanoplates with a size of ~40 nm. Electrochemical studies of the synthesized Mn3O4\ thin films were recorded in a three-electrode system, which suggests that 0.1 M cationic precursor concentration has a good electrochemical signature with a specific capacitance of 470 F/g at 1 mA/cm2\ current density in 1 M Na2SO4\ aqueous electrolyte. The cyclic stability offered was appreciable, with capacitive retention of 75\% up to 10,000 CV cycles scanned at 100 mV/s. The charge storage kinetics of the SILAR-grown Mn3O4\ thin film were investigated. With systematic study we concluded that, the molarity of the cationic precursor plays a vital role in the porosity and microstructure which drastically affects the electrochemical performance.

}, doi = {10.1016/j.cjph.2021.03.028}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Patil, D. S. and Sutar, J. R. and Shin, J. C. and Patil, P. S.} } @article {47753, title = {Supported MoOx and WOx solid acids for biomass valorization: interplay of coordination chemistry, acidity, and catalysis}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {NOV}, pages = {13603-13648}, type = {Article}, abstract = {Supported molybdenum oxide (MoOx) and tungsten oxide (WOx) materials are a vital class of solid acid catalysts for the chemical industry because of their nontoxic nature, strong acidity, remarkable stability in water, hydrogen, and oxygen atmospheres, and excellent reusability performance. These fascinating solid acids play a pivotal role in developing sustainable catalytic routes for renewable biomass processing to produce value-added fuels, chemicals, and platform molecules. The coordination chemistry of MoOx and WOx on the support materials (oxides, carbons, or zeolites) controls their acidic strength, active site accessibility, and catalytic activity. Hence, significant efforts have been made toward optimizing the conditions used for catalyst synthesis and biomass processing to tune the coordination chemistry of MoOx and WOx with the substrate molecules and, thus, their acid-activity/selectivity performance. This Review provides a comprehensive overview of supported MoOx and WOx solid acids for biomass valorization. The importance of the biomass and the role of solid acids for biomass valorization were emphasized, followed by a brief discussion of supported MoOx and WO(x )solid acids. Afterward, the interplay of coordination chemistry, acidic strength, and catalytic activity of supported MoOx and WOx solid acids was discussed. Finally, their catalytic applications for the valorization of several biomass substrates and their derivatives were summarized. This Review will provide valuable insights for developing advanced supported WOx and MoOx solid acids for catalytic biomass valorization and other challenging acid-catalyzed processes.}, keywords = {Acidity, biomass valorization, catalysis, Coordination chemistry, molybdenum oxide, tungsten oxide}, issn = {2155-5435}, doi = {10.1021/acscatal.1c03326}, author = {Sudarsanam, Putla and Gupta, Navneet Kumar and Mallesham, Baithy and Singh, Nittan and Kalbande, Pavan Narayan and Reddy, Benjaram M. and Sels, Bert F.} } @article {47075, title = {SWATH-MS based quantitative proteomics analysis to evaluate the antileishmanial effect of Commiphora wightii- Guggul and amphotericin B on a clinical isolate of Leishmania donovani (vol 223, 103800, 2020)}, journal = {Journal of Proteomics}, volume = {232}, year = {2021}, month = {FEB }, type = {Correction}, abstract = {

Drug resistance and relapse after treatment of visceral leishmaniasis (VL) with the chemotherapeutic drugs has impeded the VL elimination programme especially, in the endemic region of Bihar, India. Currently, Antimonials (Sbv) have been rendered obsolete (Bihar) as frequent treatment failure and relapse in Sbv treated patient{\textquoteright}s warrants greater vigilance and attention to the limited drugs. A clinical isolate of L.donovani obtained from an Amphotericin B (AmB) relapse patient was evaluated for its susceptibility to AmB and a hyperlipidemic drug Guggul. The evaluation of susceptibility or resistance to any drug still relies on in vitro assay on promastigote and amastigote stages of Leishmania spp. as there are no validated markers which can ascertain drug resistance in Leishmania. The anti-promastigote effect of AmB and Guggul were demonstrated by significant cellular and morphological changes exhibiting apoptosis-mediated cell death. To further illustrate the molecular mechanism of the parasite{\textquoteright}s response upon exposure to either AmB and Guggul, sequential window acquisition of all theoretical fragment ion spectra mass spectrometry (SWATH-MS) for quantitative proteomics analysis was performed along with computational data analysis; revealing considerable differences in the proteome profiles which could be regarded as putative markers for resistance or drug targets for development of therapeutic antileishmanials.

}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.104017}, author = {Routaray, Chinmayee Bar and Bhor, Renuka and Bai, Shakuntala and Kadam, Nitin Suryakant and Jagtap, Surabhi and Doshi, Pooja Jignesh and Sundar, Shyam and Sawant, Sangeeta and Kulkarni, Mahesh J. and Pai, Kalpana} } @article {47311, title = {Synergistic effect of B site co-doping with Co and Ce in bifunctional oxygen electrocatalysis by oxygen deficient brownmillerite Ba2In2O5}, journal = {Catalysis Today}, volume = {375}, year = {2021}, month = {SEP}, pages = {494-500}, type = {Article}, abstract = {

Specificity in oxygen reduction and evolution reactions is pivotal in bifunctional catalysts in advanced energy devices which are expected to be active in a wide potential window and stable in both electrochemically reducing and oxidising atmospheres. State of the art noble metal catalysts for these reactions are fraught with issues whereas, metal oxides are expected to be stable in large potential window and can be tuned to have better bifunctional activity. Catalytically active metals, redox centres, oxygen vacancies etc. are some of the features of structured oxides which can be exploited in oxygen electrocatalysis. Brownmillerite family of compounds with general formula, A2B2O5\ has high concentrations of ordered oxygen vacancy in a layer and can be promising bifunctional oxygen electrocatalysts, by appropriate B site doping. Ba2In2O5\ is a well-studied system for its oxide ion conductivity and proximity of active B sites to O vacancies provide good O adsorption sites which are catalytically active. Here, cobalt and cerium are co-doped in Ba2In2O5, anticipating a synergistic effect of Ce(III)/Ce(IV) redox centre in ORR and Co activity in OER along with O vacancies providing adsorption sites. We have studied the structural changes associated with the doping by Rietveld refinement of the XRD patterns and correlated the structure to bifunctional oxygen electrocatalytic activity which is found to enhance on increasing the Co and Ce content.

}, doi = {10.1016/j.cattod.2020.05.046}, author = {Thundiyil, Shibin and Kurungot, Sreekumar and Devi, R. Nandini} } @article {47740, title = {Synergistic electronic coupling/cross-talk between the isolated metal halide units of zero dimensional heterometallic (Sb, Mn) halide hybrid with enhanced emission}, journal = {Journal of Materials Chemistry C}, volume = {10}, year = {2021}, month = {DEC }, pages = {360-370}, type = {Article}, abstract = {Heterometallic 0D metal halide hybrids, consisting of more than one kind of metal halide units, are anticipated to manifest synergistic effects on the photo-physical properties of the constituent metal halide units. Such architectures hold great promise for design and development of function-targeted materials. However, heterometallic 0D hybrids, featuring isolated metal halide units, typically do not show any synergistic effects due to large inter-unit spatial separations that inhibit interactions/coupling between the constituent metal halide units. It remains challenging to design synthetic strategies that would support structural modifications to allow synergistic electronic coupling between the metal halide units in heterometallic 0D hybrids. Here, we report synthesis and characterization of heterometallic (Sb, Mn) 0D hybrid, namely Tris SbMnCl, with isolated MnCl5 units, (Sb/Mn)Cl-6 units, dispersed in the organic ligand matrix and layer of dynamic and networked water molecules. Steady state and time resolved emission spectra (TRES) analysis suggests strong synergistic interaction between the isolated metal halide units. Efficient energy transfer from the strongly absorbing Sb centres to emissive Mn centres results in the observed enhanced emission. Proton conductivity measurements together with first-principles calculations suggest the unique role of the networked water molecules in mediating the electronic coupling/energy transfer between the separated metal halide units in Tris SbMnCl hybrid. This report highlights the role of structure/composition of the synthesized heterometallic 0D hybrid in attaining electronic dimensionality higher than 0D through synergistic electronic interaction between the isolated metal halide units.}, issn = {2050-7526}, doi = {10.1039/d1tc04704c}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Das, Deep K. and Sam, Jisvin and Mali, Bhupendra P. and Biswas, Chinmoy and Maana, Narugopal and Thomson, Stuart and Raavi, Sai Santosh Kumar and Kurungot, Sreekumar and Gonnade, Rajesh G. and Dutta, Sudipta and Kundu, Janardan} } @article {47057, title = {Synergistic nanostructured MnOx/TiO2 catalyst for highly selective synthesis of aromatic imines}, journal = {ChemCatChem}, volume = {13}, year = {2021}, month = {APR}, pages = {1990-1997}, type = {Article}, abstract = {

This work reports the development of a synergistic nanostructured MnOx/TiO2 catalyst, with highly dispersed MnOx nanoparticles (4.5 +/- 1 nm) on shape-controlled TiO2 nanotubes (8-11 nm width and 120-280 nm length), for selective synthesis of valuable aromatic imines at industrially important conditions. Pristine TiO2 nanotubes exhibited 97 \% imine selectivity at a 38.3 \% benzylamine conversion, whereas very low imine selectivity was obtained over commercial TiO2 materials, indicating the catalytic significance of shape-controlled TiO2 nanotubes. The MnOx nanoparticle/TiO2 nanotube (10 wt\% Mn) catalyst calcined at 400 degrees C showed the best activity with 95.6 \% benzylamine conversion and 99.9 \% imine selectivity. This catalyst exhibited good recyclability for four times and is effective for converting numerous benzylamines into higher yields of imines. The high catalytic performance of MnOx/TiO2 nanotubes was attributed to higher number of redox sites (Mn3+), high dispersion of Mn species, and shape-controlled structure of TiO2, indicating that this catalyst could be a promising candidate for selective oxidation reactions.

}, keywords = {Acid-redox properties, aerobic oxidation, Nanostructured catalyst, Selective catalysis, Synergistic metal-oxide interaction}, issn = {1867-3880}, doi = {10.1002/cctc.202001870, Early Access Date = FEB 2021}, author = {Sudarsanam, Putla and Kockritz, Angela and Atia, Hanan and Amin, Mohamad Hassan and Bruckner, Angelika} } @article {47724, title = {Synthesis and application of silylene-stabilized low-coordinate Ag(I)-arene cationic complexes}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {JUN }, pages = {1626-1632}, type = {Article}, abstract = {We report the first examples of N-heterocyclic silylene-stabilized monocoordinate Ag(I) cationic complexes weakly bound to the free arene rings (C6H6, C6Me6, and C7H8). Further, the application of these electrophilic Ag(I) complexes as catalysts has been investigated toward A(3)-coupling reactions, which afforded a series of propargylamines in good to excellent yields with low catalyst loading under a solvent-free condition (19 examples).}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00083}, author = {Parvin, Nasrina and Sen, Nilanjana and Tothadi, Srinu and Muhammed, Shahila and Parameswaran, Pattiyil and Khan, Shabana} } @article {47699, title = {Synthesis and biological evaluation of hoshionolactam-based compounds}, journal = {European Journal of Organic Chemistry}, volume = {2021}, year = {2021}, month = {APR }, pages = {2212-2218}, type = {Article}, abstract = {In search of novel antitrypanosomal agents based on hoshinolactam (IC50=3.9 nM), we disclose the synthesis and biological evaluations of 14 different analogues of the natural product using combinations of different acids and lactams. Antitrypanosomal activity assays revealed that the synthesized analogues were less potent than the parent natural product.}, keywords = {Hoshinolactam, Ozonolysis, Parasitic diseases, Trypanosoma}, issn = {1434-193X}, doi = {10.1002/ejoc.202001588}, author = {Jachak, Gorakhnath R. and Elizebath, Drishya and Shukla, Anurag and Shanmugam, Dhanasekaran and Reddy, D. Srinivasa} } @article {47108, title = {Synthesis and cell imaging applications of fluorescent mono/di/tri-heterocyclyl-2,6-dicyanoanilines (vol 27, pg 979, 2017)}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {32}, year = {2021}, month = {JAN }, pages = {127737}, type = {Correction}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2020.127737}, author = {Pisal, Mahesh M. and Annadate, Ritesh A. and Athalye, Meghana C. and Kumar, Deepak and Chavan, Subhash P. and Sarkar, Dhiman and Borate, Hanumant B.} } @article {47031, title = {Synthesis and characterization of LAGP-glass-ceramics-based composite solid polymer electrolyte for solid-state Li-ion battery application}, journal = {Journal of Non-Crystalline Solids}, volume = {558}, year = {2021}, month = {APR }, pages = {120654}, type = {Article}, abstract = {

Solid State Electrolytes (SSEs) are the future alternatives of the present conventional liquid electrolytes in terms of safety, high temperature stability and also good electrochemical performance. Glass (G), based on Lithium Aluminium Germanium Phosphate (LAGP) was prepared and converted into glass-ceramics (GC) by optimized heating schedule. The crystalline LAGP has Na Super Ionic CONductor (NASICON) type unit cell where the lithium ions hop between two different positions providing long range ionic motion. To improve the inter electrode surface resistance and cell performance, Composite Solid Electrolyte (CSE) was prepared with poly (vinylidene fluoride-co-hexaflurophoaphate) (P(VDF-HFP)), 20wt\% LAGP, Lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and 1-Ethyl-3-methylimidazolium bis-(trifluoromethylsulfonyl)-imide (EMITFSI). X-ray diffraction patterns confirm the formation of the NASICON phase in LAGP GC and the amorphous nature of the CSE. NMR studies confirm formation of the Ge/AlO6 octahedra and PO4 tetrahedra inside the crystal. 7Li NMR also confirmed two different Lithium sites in LAGP crystal. The ionic conductivity values of CSE and LAGP GC are (4.49 +/- 0.31) x 10(-3)Scm(-1) and (2.70 +/- 0.04) x 10(-4)Scm(-1), respectively. The thermal stability of the prepared CSE is tested upto 315 degrees C without any degradation. Two cells (Cell-I \& Cell-II) were fabricated using the LAGP GC and CSE respectively. Cell-II shows the specific discharge capacity of 151mAhg1 at 50th cycle which is higher as compared to Cell-I (129mAhg(-1)) when tested at the C-rate of 0.05 degrees C.

}, keywords = {Lithium germanium phosphate, NASICON, Solid state electrolyte, Solid state NMR}, issn = {0022-3093}, doi = {10.1016/j.jnoncrysol.2021.120654}, author = {Das, Anurup and Goswami, Madhumita and Illath, Kavya and Ajithkumar, T. G. and Arya, A. and Krishnan, M.} } @article {47723, title = {Synthesis, crystal structures, dielectric and magnetic properties of manganese sulfonyldibenzoates}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {OCT }, pages = {6703-6723}, type = {Article}, abstract = {{A systematic investigation of the system manganese(II) salt-H(2)SBA-auxiliary ligand-solvent successfully led to the isolation of six new multidimensional coordination polymers: [Mn-5(2-pic)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (1), [Mn-3(pyzc)(2)(DMF)(H2O)(SBA)(2)]center dot DMF center dot H2O (2), [Mn-5(pyzc)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (3), [Mn-5(mpyzc)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (4), [Mn-2(phen)(2)(H2O)(SBA)(2)]center dot 2DMA (5) and [Mn-3(phen)(2)(SBA)(3)]center dot 5DMF (6), where SBA = 4,4{\textquoteright}-sulfonyldibenzoate 2-pic = 2-picolinate}, doi = {10.1039/d1ce00810b}, author = {Balendra and Singh, Bharti and Banday, Azeem and Tewari, Shailabh and Kumar, Vineet and Murugavel, Sevi and Joy, P. A. and Ramanan, Arunachalam} } @article {47657, title = {Synthesis of anisotropic rod-like gold nanostructures in organic media (vol 133, 106, 2021)}, journal = {Journal of Chemical Sciences}, volume = {133}, year = {2021}, month = {DEC}, pages = {120}, type = {Correction}, issn = {0974-3626}, doi = {10.1007/s12039-021-01992-5}, author = {Prasad, V. Bhagavatula L. and Sivasankaran, Prathap Chandran and Patel, Pitambar and Malekar, V. Pushpa and Maya, V. K. and Ramana, V. Chepuri} } @article {47658, title = {Synthesis of anisotropic rod-like gold nanostructures in organic media}, journal = {Journal of Chemical Sciences}, volume = {133}, year = {2021}, month = {DEC}, pages = {106}, type = {Article}, abstract = {Synthesis of anisotropic rod-like gold nanostructures was carried out in chloroform employing a modified ascorbic acid derivative as a reducing agent in the presence and absence of seed particles. The seed particles and/or the chloroaurate ions were phase transferred to the organic media using n-octadecyl amine. High-resolution transmission electron microscopy analysis clearly revealed that the anisotropic structures are single crystalline in nature. The stabilization of certain crystallographic faces of anisotropic gold nanostructures by amines is invoked to explain the formation of these structures.}, issn = {0974-3626}, doi = {10.1007/s12039-021-01952-z}, author = {Prasad, V, Bhagavatula L. and Sivasankaran, Prathap Chandran and Patel, Pitambar and Malekar, V, Pushpa and Maya, V, K. and Ramana, V, Chepuri} } @article {47605, title = {Synthesis of four diastereomers of notoryne and their C-13 NMR chemical shifts analysis}, journal = {Journal of Chemical Sciences}, volume = {133}, year = {2021}, month = {SEP}, pages = {76}, type = {Article}, abstract = {In this manuscript we document the details of the synthesis of four diastereomers of notoryne. The synthesis of one of the diastereomer having a similar relative stereochemistry of substituents on the both THF rings like notoryne, however, being the relative stereochemistry between the bridging carbon of these two THF units is changed from anti to syn has been executed mainly to learn how the ring carbon chemical shifts vary with this change. Interestingly, the deviations are found mainly for the carbons of THF ring that bears the Br-group. In addition to this isomer, three more diastereomers having the relative stereochemistry of substituents on either of the THF rings varied have been also synthesized. All four diastereomers have been subjected for extensive NMR studies and their C-13 NMR chemical shifts have been compared with notoryne and laurendecumenyne B. In addition, chemical shifts for the four diastereomers along with these natural products were calculated with the help of DFT calculations and compared to the experimentally obtained chemical shift values.}, issn = {0974-3626}, doi = {10.1007/s12039-021-01929-y}, author = {Senapati, Sibadatta and Das, Shyamsundar and Dixit, Ruchi and Vanka, Kumar and Ramana, V, Chepuri} } @article {47316, title = {Synthesis of gold and silver nanoparticles using Phlogacanthus Thyrsiformis extracts-its phytochemical screening and anti-oxidant studies}, journal = {Materials Today-Proceedings}, volume = {43}, year = {2021}, month = {JAN}, pages = {2805-2809}, type = {Proceedings Paper}, abstract = {

Phlogacanthus Thyrsiformis is a shrub belonging to the Acanthaceae family, normally found in the northeastern parts of India, Nepal, Burma, Indo-Chinese region and Indonesia. It is used as a cure for diarrhoea, dysentery, cholera, burns, boils, high blood pressure, sprains and body pains. Silver and gold nanoparticles were synthesized from the extracts of the leaves of this plant as the some biomolecules, known as secondary metabolites, present in plant extracts can be used to reduce metal ions to nanoparticles. The contents of the leaves were extracted in various solvents and the tests for the presence of secondary metabolites were carried out. The gold and silver nanoparticles synthesized using the plant extracts and characterized using TEM, SEM techniques and the phytochemical screening tests were done for different extracts. The anti-oxidant studies of the several extracts were carried out. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {Anti-oxidant studies, Nanoparticles, Phligacanthus thyrsiformis, Phytochemical Studies, Secondary metabolites}, issn = {2214-7853}, doi = {10.1016/j.matpr.2020.08.798}, author = {Singh, Avinash Thounaojam and Shaikh, Iqbal N. and Rale, Madhura Vijay} } @article {47372, title = {Synthesis of graphene from activated carbon at liquid nitrogen temperature and its detailed structural analysis}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {127}, year = {2021}, month = {MAY}, pages = {319}, type = {Article}, abstract = {

The present study deals with the synthesis of graphene using thermal quenching of pre-heated activated carbon (a-C) (1370 K for 3 h) at liquid nitrogen temperature and its detailed structural analysis using XRD, TEM, FTIR and Raman spectroscopy. The analysis of lattice parameters (L-a, L-c,L- and d) of constituent nanographitic domains using XRD shows restoration of graphene-like structure in the resultant product (a-CL). TEM image reveals porosity and partially crystallinity (from SAED) in a-C. While thin layers of graphene are observed in the TEM images of a-CL Deconvoluted Raman spectra have been used to investigate the evolution of crystalline behaviour of a-C with temperature in view of Ferrari and Robertson{\textquoteright}s three-stage model. The evolution of G peak and increase in I-D/I-G reveals restoration of crystallinity in a-CL. The development of the D peak indicates disordering of graphite but ordering of amorphous carbon. The reported method is technologically beneficial for graphene synthesis for large number of applications such as supercapacitors, H-2 storage, gas separation and purification.

}, keywords = {activated carbon, Amorphous carbon, graphene, H-2 storage applications, Raman spectroscopy, Supercapacitors}, issn = {0947-8396}, doi = {10.1007/s00339-021-04416-w}, author = {Sharma, Preeti and Sharma, Geeta and Punia, Rajesh} } @article {47692, title = {Synthesis of new 2-(thiazol-4-yl)thiazolidin-4-one derivatives as potential anti-mycobacterial agents}, journal = {Bioorganic Chemistry}, volume = {115}, year = {2021}, month = {OCT}, pages = {105192}, type = {Article}, abstract = {To search for potent antimycobacterial lead compounds, a new series of 3-substituted phenyl-2-(2-(substituted phenyl)thiazol-4-yl) thiazolidin-4-one (5a-t) derivatives have been synthesized by the condensation of 2 substituted phenyl thiazole-4-carbaldehyde with aromatic amine followed by cyclocondensation with thioglycolic acid. The structure of the newly synthesized 2-(thiazol-4-yl)thiazolidin-4-one derivatives were characterized by the spectroscopic analysis. The synthesized compounds were screened for antimycobacterial activity against Mycobacterium tuberculosis H37Ra (MTB) (ATCC 25177) and Mycobacterium bovis BCG (BCG, ATCC 35743). Most of the 2-(thiazol-4-yl)thiazolidin-4-one derivatives showed good to excellent antimycobacterial activity against both the Mtb strains. Nine derivatives 5c, 5g, 5j, 5m, 5n, 5o, 5p, 5s, and 5t showed excellent activity against M. bovis BCG with MIC 4.43 to 24.04 mu M were further evaluated for the cytotoxicity activity against HeLa A549, and HCT-116 cell lines and showed no significant cytotoxic activity at the maximum concentration evaluated. The potential antimycobacterial activities enforced that the thiazolyl-thiazolidin-4-one derivatives could lead to compounds that could treat tuberculosis.}, keywords = {Cytotoxicity, Mycobacterium tuberculosis, Thiazole, Thiazolidin-4-one}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2021.105192}, author = {Abhale, Yogita K. and Shinde, Abhijit and Shelke, Monika and Nawale, Laxman and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {47400, title = {Synthetic heparan sulfate ligands for vascular endothelial growth factor to modulate angiogenesis}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {APR }, pages = {3516-3519}, type = {Article}, abstract = {

We report the discovery of a potential heparan sulfate (HS) ligand to target several growth factors using 13 unique HS tetrasaccharide ligands. By employing an HS microarray and SPR, we deciphered the crucial structure-binding relationship of these glycans with the growth factors BMP2, VEGF(165), HB-EGF, and FGF2. Notably, GlcNHAc(6-O-SO3-)-IdoA(2-O-SO3-) (HT-2,6S-NAc) tetrasaccharide showed strong binding with the VEGF(165) growth factor. In vitro vascular endothelial cell proliferation, migration and angiogenesis was inhibited in the presence of VEGF(165) and HT-2,6S-NAc or HT-6S-NAc, revealing the potential therapeutic role of these synthetic HS ligands.

}, issn = {1359-7345}, doi = {10.1039/d1cc00964h}, author = {Jain, Prashant and Shanthamurthy, Chethan D. and Leviatan Ben-Arye, Shani and Yehuda, Sharon and Nandikol, Sharvani S. and Thulasiram, V, Hirekodathakallu and Padler-Karavani, Vered and Kikkeri, Raghavendra} } @article {47662, title = {Systematic search for a predictor for the clinical observables of alzheimer{\textquoteright}s disease}, journal = {Journal of Physical Chemistry B}, volume = {125}, year = {2021}, month = {NOV }, pages = {12177-12186}, type = {Article}, abstract = {One of the prevailing life-threatening incurable neurodegenerative diseases that are presently endangering human society as a whole, and hence, baffling the entire spectrum of the scientific and pharmaceutical world, is Alzheimer{\textquoteright}s disease (AD). AD is a manifestation of self-assembly of both wild-type (sporadic) and mutated (familial) forms of the amyloid-beta peptide, a proteolytic product of the amyloid precursor protein, where the self-assembly results in the genesis of pathogenic fibrillar aggregates. Currently prevailing diagnostic and hence therapeutic challenges originate from the unavailability of a specific predictor for clinical observables. The continuous emergence of novel pathogenic mutants with unpredictable phenotypes adds immensely to the nonspecific nature of the problem. The current research reports a simple physical parameter, the binding affinity of a protofilament to its protofibril, which predicts the clinical observables of familial AD with astounding accuracy and more importantly, without any adjustable parameters.}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.1c06725}, author = {Das, Atanu} } @article {48344, title = {Scalable mechanochemical synthesis of beta-ketoenamine-linked covalent organic frameworks for methane storage}, journal = {Chemistry-An Asian Journal}, volume = {17}, year = {2022}, month = {DEC}, type = {Article}, abstract = {

In the current scenario of increased pollution and releasing toxic gases by burning petroleum products, switching to natural gas is more promising for reducing CO2 emissions and air pollutants. Hence, research on Liquefied Natural Gas and Compressed Natural Gas is gaining more value. However, natural gas primarily consists of CH4, which has less energy density than conventional fuels. Interestingly, since the C-H ratio of CH4 gas is 1 : 4, it is easily combustible, gives less carbon footprint, and reduces unburnt hydrocarbon pollution. Hence, research on storing and transporting CH4 has utmost importance, and porous materials are one of the suitable candidates for storing CH4. Herein we report the scalable synthesis of highly porous and crystalline covalent organic frameworks for storing CH4 at room temperature and pressure. Two COFs, namely, Tp-Azo and Tp-Azo-BD(Me)(2), synthesized in 1 kg at similar to 45 g batch scale using a Planetary mixer, displayed a maximum BET surface area of around 3345 m(2)/g, and 2342 m(2)/g and CH4 storage of 174.10 cc/cc and 151 cc/cc, respectively. A comparison of the CH4 sorption of Tp-Azo and Tp-Azo-BD(Me)(2) COFs synthesized in different batches has a variation of only +/- 5 cc/cc and shows the consistency in bulk scale synthesis of COFs. The cyclic equilibrium CH4 adsorption studies showed the COFs are stable with consistent CH4 adsorption and desorption cycles. The present study is a step towards the scalable mechanochemical synthesis of COFs for gas storage applications.

}, keywords = {CH4 storage, COF, porous material, scalable synthesis}, issn = {1861-4728}, doi = {10.1002/asia.202201012}, author = {Asokan, Kiran and Patil, Manoj Krishnat and Mukherjee, Shatabdi Porel and Sukumaran, Santhosh Babu and Nandakumar, T.} } @article {48219, title = {Scan-find-scan-model: discrete site-targeted suppressor design strategy for amyloid-beta}, journal = {ACS Chemical Neuroscience}, volume = {13}, year = {2022}, month = {JUL}, pages = {2191-2208}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease is undoubtedly the most well-studied ranks at the top in terms of getting attention from the scientific community for structural property-based characterization. Even after decades of extensive research, there is existing volatility in terms of understanding and hence the effective tackling procedures against the disease that arises due to the lack of knowledge of both specific targetand site-specific drugs. Here, we develop a multidimensional approach based on the characterization of the common static-dynamic-thermodynamic trait of the monomeric protein, which efficiently identifies a small target sequence that contains an inherent tendency to misfold and consequently aggregate. The robustness of the identification of the target sequence comes with an abundance of a priori knowledge about the length and sequence of the target and hence guides toward effective designing of the target-specific drug with a very low probability of bottleneck and failure. Based on the target sequence information, we further identified a specific mutant that showed the maximum potential to act as a destabilizer of the monomeric protein as well as enormous success as an aggregation suppressor. We eventually tested the drug efficacy by estimating the extent of modulation of binding affinity existing within the fibrillar form of the A beta protein due to a single-point mutation and hence provided a proof of concept of the entire protocol.

}, keywords = {configurational misfoldability, drug developability, inherent frustration, potential aggregability, sequence-based mutability, target specificity}, issn = {1948-7193}, doi = {10.1021/acschemneuro.2c00272}, author = {Bhagavatula, Hasathi and Sarkar, Archishman and Santra, Binit and Das, Atanu} } @article {48170, title = {Screening of osmotic stress-tolerant bacteria for plant growth promotion in wheat (Triticum aestivum L.) and brinjal (Solanum melongena L.) under drought conditions}, journal = {Letters in Applied Microbiology}, volume = {75}, year = {2022}, month = {NOV}, pages = {1286-1292}, type = {Article}, abstract = {

Drought stress adversely affects plant growth and productivity. Therefore, the application of plant growth-promoting bacteria is a viable option for combating drought resistance in crops. In this study, 144 bacteria were isolated from the Kutch desert soil in Gujarat. Based on osmotic stress tolerance and PGP properties, two strains, Bacillus tequilensis (KS5B) and Pseudomonas stutzeri (KS5C) were tested for their effect on wheat (Triticum aestivum L.) and brinjal (Solanum melongena L.) under drought stress conditions. Inoculation with osmotic stress-tolerant bacteria showed 15 center dot 15-29 center dot 27\% enhancement in root length of wheat and 15 center dot 27-32 center dot 59\% in brinjal plants. Similarly, the enhancement of shoot length ranged from 14 center dot 72 to 37 center dot 70\% for wheat and 59 center dot 39-95 center dot 94\% for brinjal plants. Furthermore, the inoculated plants showed significant improvement in chlorophyll content and antioxidant properties such as proline, peroxidase and polyphenol oxidase activity compared to the control. Therefore, the bacterial strains identified in this study can be used to mitigate drought stress and enhance plant biomass.

}, keywords = {Antioxidant, brinjal, drought, plant growth, Wheat}, issn = {0266-8254}, doi = {10.1111/lam.13797}, author = {Patel, P. and Patil, T. and Maiti, S. and Paul, D. and Amaresan, N.} } @article {47830, title = {Selective electro-oxidation of phenol to 1,4-hydroquinone employing carbonaceous electrodes: surface modification is the key}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {JAN}, pages = {2518-2525}, type = {Article}, abstract = {The oxidation of phenol leading to 1,4-hydroquinone with high conversion, remarkable selectivity and an excellent yield (87\% isolated) has been accomplished under electrolytic conditions in an aqueous medium employing carbon-based electrodes. To achieve this, various factors such as electrode stability, repeatability, and the type of product formed by the electrochemical oxidation of phenol have been investigated using cyclic voltammetry first and then organic transformations under optimized conditions were accomplished by constant current electrolysis. The voltammetric data clearly show that electrochemically generated intermediates passivate the surface of the typically used electrodes, leading to a decrease in their activity, which is a major problem concerning the transformation of phenol electro-oxidation to an industrially adaptable process. In this work, it is established that such difficulties could be circumvented using surface modified carbonaceous electrodes having disordered graphene-like structures and oxygen functional groups. It is also demonstrated that surface modified reticulated vitreous carbon (RVC) based electrodes could be used for electro-oxidation of phenol at a reasonably large scale. The electrolysis conditions have been optimized based on the mechanistic understanding leading to remarkable conversion of phenol with 87\% selectivity to 1,4-hydroquinone.}, doi = {10.1039/D1NJ04640C}, url = {http://dx.doi.org/10.1039/D1NJ04640C}, author = {Baravkar, Mayur D. and Prasad, Bhagavatula L. V.} } @article {47731, title = {Selective production of C9 monomeric phenols via hydrogenolysis of lignin using Pd-(W/Zr/Mo oxides)-supported on biochar catalyst}, journal = {Fuel}, volume = {308}, year = {2022}, month = {JAN }, pages = {121818}, type = {Article}, abstract = {Valorizing lignin to phenolic monomers and fine chemicals is an essential component of a sustainable biorefinery that uses lignocellulosic feedstocks. In this study, Pd-metal oxides (ZrO2, WOx, MoO3) supported on activated biochar (ABC) catalysts were developed for hydrogenolysis of lignin. The metals (2\% Pd, 5\% Zr, 5\% W, 5\% Mo) were supported on activated biochar using the wetness impregnation method, and the catalysts were extensively characterized. The effect of addition of secondary metals on active surface properties such as acidity, Pd metal particle size and dispersion were also evaluated. The selectivity to C9 monomeric phenols followed the trend: 2Pd-5Mo/ABC (57.3\%) > 2Pd-5Zr/ABC (49.2\%) > 2Pd-5W/ABC (45\%) > 2Pd/ABC (42.9\%). The maximum C9 phenolic monomer yield achieved in this study was similar to 22 wt\%. The fractional conversion of lignin was 67-69\% with Pd-metal oxide catalysts. The presence of Mo in the catalyst inhibited the hydrogenation of aliphatic C-alpha = C-beta in lignin and led to the formation of t-isoeugenol, while the presence of W and Zr resulted in selective formation of the hydrogenated product, propyl guaiacol. Using model compounds, it is proved that the formation of propyl guaiacol is via hydrogenation of t-isoeugenol, and not through dehydroxylation of propanol guaiacol. The dehydroxylation activity of the catalysts is attributed to the higher Lewis acidity and electropositive nature of the metals. A notable carbon atom economy of 47-50\% towards total phenolic monomers was achieved with 2Pd/ABC, 2Pd-5Mo/ABC and 2Pd-5Zr/ABC catalysts.}, keywords = {Activated biochar, Guaiacol, Hydrogenolysis, lignin, Metal oxides, Palladium}, issn = {0016-2361}, doi = {10.1016/j.fuel.2021.121818}, author = {Gurrala, Lakshmiprasad and Kumar, M. Midhun and Sharma, Shweta and Paek, Changyub and Vinu, R.} } @article {48178, title = {{\textquoteleft}Self-activating{\textquoteright} Bi3TaO7-Bi4TaO8Br photocatalyst and its use in the sustainable production of pro-fluorophoric rhodamine-110}, journal = {Green Chemistry}, volume = {24}, year = {2022}, month = {JUL}, pages = {5514-5523}, type = {Article}, abstract = {

We counter two common notions that (i) photocatalysts are likely to degrade during use with barely any strategy to counter it and (ii) rhodamine-B (RhB) photo-degradation lacks any useful or commercial prospects even after 53 years of its discovery by developing a photocatalyst that continues to improve its activity for similar to 300 h due to a leaching induced {\textquoteleft}self-activation{\textquoteright} process. Rhodamine-110 (Rh110) is a widely used pro-fluorophore in biological studies. However, its commercial production is highly challenging due to the formation of various side-products originating from the presence of the two labile amino side-groups that induce the pro-fluorophore activity, leading to purification difficulties, low yield, and unusually high costs. Herein, we demonstrate a facile strategy to produce pure Rh110 using extremely inexpensive RhB and Bi3TaO7-Bi4TaO8Br heterostructures as a catalyst in sunlight. The catalyst is not just stable over 30 catalytic cycles but also gets activated continuously in successive cycles to produce a reaction yield as high as 88\%. The role of the heterostructure, the origin of surface activation, and the RhB -\> Rh110 transformation mechanism have been established. Based on 150 days of sunlight experiments, large-scale production prospects (similar to 4000 times scale-up) and isolation of Rh110 have also been realized, paving a novel way for its production by anyone, inexpensive biological essaying, and device fabrication. Continuously improving catalysts are unknown and compensatory leaching of metal atoms from the catalyst surface may pave the way to realize them.

}, issn = {1463-9262}, doi = {10.1039/d2gc01574a}, author = {Banoo, Maqsuma and Chatterjee, Kaustav and Mondal, Sanjit and Vinod, C. P. and Gautam, Ujjal K.} } @article {48004, title = {Shape-controlled nanostructured MoO3/CeO2 catalysts for selective cyclohexene epoxidation}, journal = {Catalysis Communications}, volume = {164}, year = {2022}, month = {APR}, pages = {106433}, type = {Article}, abstract = {

This study reported a vital role of CeO2 shape on the structure-activity properties of MoOx/CeO2 catalysts for cyclohexene epoxidation. Uniform dispersion of MoOx on the surface of shape-controlled CeO2 nanocubes (average particle size: 23.5 nm) and nanorods (average width: 6.3 nm and length: 15-95 nm) was found in MoOx/CeO2 nanomaterials. The MoOx/CeO2 nanocubes showed higher epoxide selectivity (97.3\%) with 98.9\% cyclohexene conversion, although it has lower BET surface area (30.2 m(2)/g) compared with MoOx/CeO2 nanorods (72.8 m(2)/g). The presence of more electropositive Mo6+ species and the strong Mo-Ce interaction led to improved catalytic efficacy of MoOx/CeO2 nanocubes in cyclohexene epoxidation.

}, keywords = {CeO2 nanocubes, CeO2 shapes, Nanosized MoOx/CeO2 catalyst, Selective epoxidation, Structure-activity properties}, issn = {1566-7367}, doi = {10.1016/j.catcom.2022.106433}, author = {Sudarsanam, Putla and Singh, Nittan and Kalbande, Pavan Narayan} } @article {48176, title = {Silk fibroin and recombinant elastin blend nano-coatings for implantable medical devices}, journal = {Materials Today Communications}, volume = {33}, year = {2022}, month = {DEC}, pages = {104875}, type = {Article}, abstract = {

Silicone breast implants are conventionally used to reconstruct the shape and size of the breast in breast cancer patients. However, rate of failure of implants due to formation of capsular contracture is significantly high. Recent studies have shown that coating the surface of the implant with a biocompatible polymer can mitigate this risk. Here, we have modified the surface of implant using a biocompatible natural biopolymer silk fibroin (SF). Further, we have developed formulations of SF with a recombinantly produced elastin-like-peptide (ELP) and compared their performance with a known anti-fouling hydrophilic polymer - polyethylene oxide (PEO). Microscopic and spectroscopic characterization confirm the formation of uniform coatings. These coatings have been also characterized for their ability to resists crack formation. Further, the coatings have been evaluated for their biological performance. Our studies show that addition of 25 wt\% of ELP to SF significantly enhances the crack resistance for the coatings. In addition, SF/ELP coatings reduce the adsorption of blood plasma proteins by more than 80 \%. Preliminary analysis shows that the SF/ELP blend coatings are non-cytotoxic and support adhesion, growth and proliferation of fibroblast cells. The study therefore demonstrates that SF/ELP coatings have the potential to mitigate the risk of breast implant failure.

}, keywords = {Blood plasma, Crack resistance, Protein adsorption, Recombinant elastin, Silk fibroin}, doi = {10.1016/j.mtcomm.2022.104875}, author = {Joseph, Emmanuel and Kane, Kartiki and Parekh, Nimisha and Nisal, Anuya and Janorkar, V. Amol} } @article {48079, title = {Silk fibroin microparticle scaffold for use in bone void filling: safety and efficacy studies}, journal = {ACS Biomaterials Science \& Engineering}, volume = {8}, year = {2022}, month = {MAR}, pages = {1226-1238}, type = {Article}, abstract = {

Silk fibroin (SF) is a natural biocompatible protein polymer extracted from cocoons of silkworm Bombyx mori. SF can be processed into a variety of different forms and shapes that can be used as scaffolds to support bone regeneration. Threedimensional (3D) SF scaffolds have shown promise in bone-void -filling applications. In in vitro studies, it has been demonstrated that a microparticle-based SF (M-RSF) scaffold promotes the differentiation of stem cells into an osteoblastic lineage. The expression of differentiation markers was also significantly higher for M-RSF scaffolds as compared to other SF scaffolds and commercial ceramic scaffolds. In this work, we have evaluated the in vitro and in vivo biocompatibility of M-RSF scaffolds as per the ISO 10993 guidelines in a Good Laboratory Practice (GLP)-certified facility. The cytotoxicity, immunogenicity, genotoxicity, systemic toxicity, and implantation studies confirmed that the M-RSF scaffold is biocompatible. Further, the performance of the MRSF scaffold to support bone formation was evaluated in in vivo bone implantation studies in a rabbit model. Calcium sulfate (CaSO4) scaffolds were chosen as reference material for this study as they are one of the preferred materials for bone-void -filling applications. M-RSF scaffold implantation sites showed a higher number of osteoblast and osteoclast cells as compared to CaSO4 implantation sites indicating active bone remodeling. The number density of osteocytes was double for M-RSF scaffold implantation sites, and these M-RSF scaffold implantation sites were characterized by enhanced collagen deposition, pointing toward a finer quality of the new bone formed. Moreover, the M-RSF scaffold implantation sites had a negligible incidence of secondary fractures as compared to the CaSO4 implantation sites (similar to 50\% sites with secondary fracture), implying a reduction in postsurgical complications. Thus, the study demonstrates that the M-RSF scaffold is nontoxic for bone-void -filling applications and facilitates superior healing of fracture defects as compared to commercial calcium-based bone void fillers.

}, keywords = {Biocompatibility, biological safety, bone void filler, ISO 10993, M-RSF, Serioss, Silk fibroin}, issn = {2373-9878}, doi = {10.1021/acsbiomaterials.1c01103}, author = {Deshpande, Rucha and Shukla, Swati and Kale, Amod and Deshmukh, Narendra and Nisal, Anuya and Venugopalan, Premnath} } @article {48405, title = {Silver dependent enantiodivergent gold(i) catalysed asymmetric intramolecular hydroamination of alkenes: a theoretical study}, journal = {Catalysts}, volume = {12}, year = {2022}, month = {NOV}, pages = {1392}, type = {Article}, abstract = {

We report a theoretical study of the first silver-dependent enantiodivergent gold-catalysed reaction. The combination of a single chiral binuclear gold(I) chloride complex and silver perchlorate catalyses the asymmetric intramolecular hydroamination of alkenes and affords both enantiomers of the products by applying a simple solvent change from toluene to methanol. A gold-silver chloride adduct that occurs only in methanol appears to control the enantioinversion. If one gold atom coordinates and activates the alkene moiety, the other gold is included in an adduct with silver chloride, which coordinates a methanol solvent molecule and further interacts with the amine function. If the use of toluene implies free anions and affords (S)-enantiomer, methanol allows a proximal interaction with the amine, leads to an opposite stereodifferentiation of the two diastereomeric intermediates during the final protodeauration step and results in the (R)-enantiomer.

}, keywords = {alkene, enantiodivergent catalysis, Gold, hydroamination, Silver}, doi = {10.3390/catal12111392}, author = {Dixit, Ruchi and Sharma, Himanshu and Agbossou-Niedercorn, Francine and Vanka, Kumar and Michon, Christophe} } @article {47834, title = {Silver-catalyzed [3 + 3]-annulation cascade of alkynyl alcohols and α,β-unsaturated ketones for the regioselective assembly of chromanes}, journal = {Organic Chemistry Frontiers}, volume = {9}, year = {2022}, month = {JAN}, pages = {802-809}, type = {Article}, abstract = {An unprecedented Ag(i)-catalyzed [3 + 3]-annulation of alkynyl alcohols (5-hexyn-1-ols) and α,β-unsaturated ketones is reported to construct simple to complex chromanes. This transformation begins with hydroalkoxylation of alkynol through C{\textendash}C triple bond activation to give cyclic-enol ether, followed by intermolecular 1,4-addition and intramolecular 1,2-addition of enol ethers onto the enone and oxidative aromatization or Grob-type elimination steps. Facile reaction conditions, broad substrate scope, good to excellent yields, and atom economy are the salient features of this protocol. Isolation of the active pyran-tethered cyclohexadiene reaction intermediate, additional supporting experiments, and DFT calculations strongly support the experimental findings and corroborate our proposed mechanism.}, issn = {2052-4129}, doi = {10.1039/D1QO01643A}, author = {Nakate, Ashwini K. and Thorat, Sagar S. and Jain, Shailja and Rama Krishna, Gamidi and Vanka, Kumar and Kontham, Ravindar} } @article {47998, title = {Single-step insertion of M-Nx moieties in commercial carbon for sustainable bifunctional electrocatalysis: mapping insertion capacity, mass loss, and carbon reconstruction}, journal = {Carbon}, volume = {196}, year = {2022}, month = {AUG}, pages = {1001-1011}, type = {Article}, abstract = {

Atomically dispersed earth-abundant metals in N-doped carbon (M-N-Cs) have emerged as a new class of electroactive materials that can match not only the performance of the precious metals but can catalyze both the cathodic and the anodic reactions due to their bifunctional behaviour. This inspires the development of simpler strategies for scale-up production since the existing ones rely on precursors whose commercial viability is not yet ascertained. Herein, we demonstrate the insertion prospects of M-Nx (M = Fe, Co, Ni) moieties, the electrocatalytic centers in the M-N-Cs, into commercial carbon to establish that a single-step heating of the inexpensive precursors is sufficient to generate bifunctional electrocatalysts for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) with efficiencies that bypass the majority of the known catalysts. Further importantly, we quantify both the ORR and OER trends and the metal insertion limits for each metal while maintaining an atomic dispersion, without the formation of surface migration-induced clustering, because such clustering is inevitable in the existing processes to necessitate an extra acid-leaching step to remove them. We further quantify and explain for each metal a negative mass balance originating from anomalous mass loss of both metal and carbon content, and a massive reconstruction of the carbon backbone catalyzed by the very metal, an event documented for the first time though it ought to be associated with other M-N-C syntheses too. The study establishes an incredibly simple and inexpensive strategy for the realization of M-N-Cs and outlines the parameters to be considered during mass-production.

}, keywords = {Bifunctional catalysis, Carbon reconstruction, Commercial carbon, Metal insertion, Oxygen electrocatalysis}, issn = {0008-6223}, doi = {10.1016/j.carbon.2022.06.008}, author = {Garg, Reeya and Sahoo, Lipipuspa and Kaur, Komalpreet and Vinod, C. P. and Gautam, Ujjal K.} } @article {48232, title = {Single-step synthesis of exfoliated Ti3C2Tx MXene through NaBF4/HCl etching as electrode material for asymmetric supercapacitor}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {MAY}, pages = {e202201166}, type = {Article}, abstract = {

Two-dimensional Ti3C2Tx MXene, derived from the parent Ti3AlC2 phase, is considered a promising electrode material for electrochemical energy storage applications. Ti3C2Tx MXene synthesis methods often employ concentrated hydrofluoric acid (HF), which is harsh, corrosive, and hazardous to the environment. Herein, we report the preparation of Ti3C2Tx MXene following a new synthetic route under a mild reaction condition comprising an aqueous solution of NaBF4 and HCl. This etching environment at a moderate temperature of 130 degrees C effectively removes the Al layer of the Ti3AlC2 precursor, assisted by the in situ formed HF in the reaction medium. Electron microscopy images of the as-prepared Ti3C2Tx (MX-130) reveal a partially exfoliated nanosheet-like morphology. The material displays a specific capacitance of 262 F g(-1) (three-electrode assembly, 1 A g(-1), -0.85 to -0.25 V vs. Hg/Hg2SO4) in 1 M H2SO4 electrolyte. The achieved specific capacitance is superior to that of Ti3C2Tx prepared via the common HF-treatment (25 F g(-1)). Additionally, the potential application of the optimized MXene as a negative electrode material is demonstrated in a quasi-solid-state RuO2|MX-130 asymmetric supercapacitor device.

}, keywords = {asymmetric supercapacitor, Electrochemistry, Fluoride salt etchant, Layered electrode materials, Transition metal carbides}, issn = {2365-6549}, doi = {10.1002/slct.202201166}, author = {Ghosh, Meena and Szunerits, Sabine and Cao, Ning and Kurungot, Sreekumar and Boukherroub, Rabah} } @article {48126, title = {Six-membered saturated NHC-stabilized borenium cations: isolation of a cationic analogue of borinic acid}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {AUG}, pages = {12991-12997}, type = {Article}, abstract = {

The reaction of six-membered saturated NHC [1,3-di(2,6-diisopropylphenyl) tetrahydropyrimidine-2-ylidene; henceforth abbreviated as 6-SIDipp] with PhBCl2 yields a Lewis base adduct, 6-SIDipp.PhBCl2 (1), which readily undergoes nucleophilic substitution reaction with AgNO3, leading to the single (2) and double (3) substitution of both chlorides with ONO2 moieties at the boron atom. The reaction of 1 with 1 equiv of AlCl3 resulted in a borenium cation of composition [6-SIDipp.B(Ph)Cl]+ (4) with AlCl4- as the counteranion. Although borenium cations with different substituents on boron have been reported, a structurally characterized phenylchloroborenium cation remains unknown. Similarly, the reaction of 1 with triflic acid provides the first representative of a new class of borenium cations bearing one hydroxyl and one phenyl group on boron (5), a cationic analogue of borinic acid. Ph-BN H Diphenylborinic acid

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c00611}, author = {Kundu, Gargi and Balayan, Kajal and Tothadi, Srinu and Sen, Sakya S.} } @article {48400, title = {Size-dependent order-disorder crossover in hydrophobic hydration: comparison between spherical solutes and linear alcohols}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {JAN}, pages = {2671-2678}, type = {Article}, abstract = {

Theory and computer simulation studies have predicted that water molecules around hydrophobic molecules should undergo an order-disorder transition with increasing solute size around a 1 nm length scale. Some theories predict the formation of a clathrate-like ordered structure around smaller hydrophobic solutes (\<1 nm) and the formation of disordered vapor-liquid interfaces around larger solutes (\>1 nm) and surfaces. Experimental validation of these predictions has often been elusive and contradictory. High-resolution Raman spectroscopy has detected that water around small hydrophobic solutes shows a signature similar to that of bulk water at lower temperature (increased ordering and a stronger hydrogen-bonded network). Similarly, water around larger solutes shows an increasing population of dangling OH bonds very similar to higher temperature bulk water. Thus, the solute size dependence of the structure and dynamics of water around hydrophobic molecules seems to have an analogy with the temperature dependence in bulk water. In this work, using atomistic classical molecular dynamics (MD) simulations, we have systematically investigated this aspect and characterized this interesting analogy. Structural order parameters including the tetrahedral order parameter (Q), hydrogen bond distribution, and vibrational power spectrum highlight this similarity. However, in contrast to the experimental observations, we do not observe any length-dependent crossover for linear hydrophobic alcohols (n-alkanols) using classical MD simulations. This is in agreement with earlier findings that linear alkane chains do not demonstrate the length-dependent order-disorder transition due to the presence of a sub-nanometer length scale along the cross section of the chain. Moreover, the collapsed state of linear hydrocarbon chains is not significantly populated for smaller chains (number of carbons below 20). In the context of our computational results, we raise several pertinent questions related to the sensitivity of various structural and dynamical parameters toward capturing these complex phenomena of hydrophobic hydration.

}, issn = {2470-1343}, doi = {10.1021/acsomega.1c05064}, author = {Hande, Vrushali and Chakrabarty, Suman} } @conference {48195, title = {Skin mimicking solid optical tissue phantom fulfillment and its characterization}, booktitle = {Photonics in Dermatology and Plastic Surgery 2022}, year = {2022}, publisher = {SPIE}, organization = {SPIE}, address = {1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA}, abstract = {

Skin mimicking optical tissue phantoms are widely used in diagnostics systems for characterization, optimization, routine calibration and validation. In general, solid phantoms are more preferred in comparison to liquid phantoms. Therefore, our aim is to prepare and characterize the solid tissue phantoms having skin equivalent optical properties. In this work, we have used epoxy resin and hardener as a base material and titanium oxide (TiO2) nanoparticles and ink as a scatterer and absorber media, respectively. The total transmission (Tt), collimated transmission (Tc), and diffuse reflectance (Rd) spectra of the developed phantoms were measured with an integrating sphere installed in UV-VIS spectrometer within the wavelength range 400-700 nm. To characterize the optical properties such as absorption (mu(a)), reduced scattering (mu(s){\textquoteright}), and anisotropy factor (g) of the developed tissue phantoms, the numerical model based on Inverse Adding Doubling (IAD) has been used. With various concentrations of absorber and scatterer, a calibration curve was prepared. The calculated experimental optical properties from IAD matched with the predicted intrinsic optical properties of the skin. Thus, the preliminary results suggest that the recipe used in this study may be used as an alternative approach to developing skin mimicking solid optical phantom for diagnostics system applications.

}, keywords = {Absorption, anisotropy factor, scattering, skin mimicking, solid tissue phantom}, isbn = {978-1-5106-4740-4; 978-1-5106-4739-8}, doi = {10.1117/12.2609577}, author = {Kumar, Ajay and Hinge, Sarika and Dixit, Hemant and Kanawade, Rajesh and Kulkarni, Gauri}, editor = {Choi, B and Zeng, H} } @article {48351, title = {Small molecule quercetin binds MALAT1 triplex and modulates its cellular function}, journal = {Molecular Therapy-Nucleic Acids}, volume = {30}, year = {2022}, month = {DEC}, pages = {241-256}, type = {Article}, abstract = {

The triple-helix structure at the 30 end of metastasis-associated lung adenocarcinoma transcript 1 (MALAT1), a long non -cod-ing RNA, has been considered to be a target for modulating the oncogenic functions of MALAT1. This study examines the binding of quercetin-a known triplex binding molecule-to the MALAT1 triplex. By employing UV-visible spectroscopy, circular dichroism spectroscopy, and isothermal titration calo-rimetry, we observed that quercetin binds to the MALAT1 triplex with a stoichiometry of 1:1 and Kd of 495 +/- 61 nM, along with a negative change in free energy, indicating a spontaneous interaction. Employing real-time PCR measurements, we observed around 50\% downregulation of MALAT1 transcript levels in MCF7 cells, and fluorescence in situ hybridization (FISH) experiments showed concomitantly reduced levels of MALAT1 in nuclear speckles. This interaction is likely a result of a direct interaction between the molecule and the RNA, as indicated by a transcription-stop experiment. Further, tran-scriptome-wide analysis of alternative splicing changes induced by quercetin revealed modulation of MALAT1 downstream genes. Collectively, our study shows that quercetin strongly binds to the MALAT1 triplex and modulates its functions. It can thus be used as a scaffold for further development of ther-apeutics or as a chemical tool to understand MALAT1 func-tions.

}, issn = {2162-2531}, doi = {10.1016/j.omtn.2022.09.016}, author = {Rakheja, Isha and Ansari, Asgar Hussain and Ray, Arjun and Joshi, Dheeraj Chandra and Maiti, Souvi} } @article {48234, title = {SNP discovery and structural insights into OeFAD2 unravelling high oleic/linoleic ratio in olive oil}, journal = {Computational and Structural Biotechnology Journal}, volume = {20}, year = {2022}, month = {JUL}, pages = {1229-1243}, type = {Article}, abstract = {

Fatty Acid Desaturase 2 (FAD2), a key enzyme in the fatty acid biosynthesis pathway, is involved in the desaturation and conversion of oleic acid to linoleic acid. Therefore, it plays a crucial role in oleic/linoleic acid ratio and the quality of olive oil. DNA sequencing of 19 FAD2 genes from a set of olive oil varieties revealed several single-nucleotide polymorphisms (SNPs) and highlighted associations between some of the SNPs and saturated fatty acids contents. This was further confirmed by SNP-interaction and machine learning approach. Haplotype diversity analysis led to the discovery of three highly polymorphic SNPs and four haplotypes harboring differential oleic/linoleic acid ratios. Moreover, a combination of molecular modeling and docking experiments allowed a deeper and better understanding of the structure-function relationship of the FAD2 enzyme. Sequence patterns and variations involved in the regulation of the FAD2 activity were also identified. Furthermore, S82C and H213N substitutions in OeFAD2 make the Oueslati variety more interesting in terms of fatty acid profile and oleic acid level. (C) 2022 The Authors. Published by Elsevier B.V. on behalf of Research Network of Computational and Structural Biotechnology.

}, keywords = {docking, Fatty acid desaturase, Haplotype, machine learning, Oleic/linoleic acid ratio, Protein structure}, issn = {2001-0370}, doi = {10.1016/j.csbj.2022.02.028}, author = {Ben Ayed, Rayda and Moreau, Fabienne and Ben Hlima, Hajer and Rebai, Ahmed and Ercisli, Sezai and Kadoo, Narendra and Hanana, Mohsen and Assouguem, Amine and Ullah, Riaz and Ali, Essam A.} } @article {47996, title = {Solvent-assisted cavitation for enhanced removal of organic pollutants - degradation of 4-aminophenol}, journal = {Journal of Environmental Management}, volume = {311}, year = {2022}, month = {JUN }, pages = {114857}, type = {Article}, abstract = {

A new approach of solvent-assisted cavitation process was proposed for degradation of organic pollutants. The process envisages the use of suitable solvent as an additive, (1-5\% v/V), in the conventional cavitation process to enhance the pollutant removal efficiency. A proof of concept was provided for the removal of ammoniacal nitrogen with significantly improved efficiency using solvent-assisted hydrodynamic cavitation (HC) compared to conventional HC. The efficacy of the process was studied on a pilot plant scale (1 m(3)/h) and using vortex flow based vortex diode as a cavitating device. Degradation studies were carried out using a model pollutant, 4-amino phenol and four different solvents as additives, 1-octanol, cyclohexanol, 1-octane and toluene. Relatively polar solvents were found to increase the efficiency of the pollutant removal (\> 65\%) and also increase the rates to an extent of more than 200\%, compared to only HC. A very high removal of ammoniacal nitrogen, more than 90\%, was obtained for solvents 1-octanol and cyclohexanol, indicating the importance of the selection of solvent. Per pass degradation model showed 3 to 4 times increase in the per pass degradation for polar solvents compared to cavitation alone. The results confirm no role of conventional solvent extraction and no specific contamination of wastewater due to the use of solvent as an additive in the process. Further, the cost was 2-3 times lower as compared to the conventional HC. The interesting observations in the proposed process can fuel further research to provide possible improvements in existing methodologies of wastewater treatment, in general, and for removal of ammoniacal nitrogen, in particular.

}, keywords = {Ammoniacal nitrogen, Hydrodynamic cavitation, Oxidation, Pollution Control, Wastewater treatment}, issn = {0301-4797}, doi = {10.1016/j.jenvman.2022.114857}, author = {Patil, Pravin B. and Bhandari, Vinay M.} } @article {48001, title = {Solvent-driven mono- and bis-sulfenylation of (E)-beta-iodovinyl sulfones with thiols for flexible synthesis of 1,2-thiosulfonylalkenes and 1,2-dithioalkenes}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {MAR}, pages = {3934-3951}, type = {Article}, abstract = {

The nature of solvent is a key factor for stereoselective mono-and bis-thiolation of (E)-beta-iodovinyl sulfones with thiols under basic conditions. A novel and unprecedented vicinal bisthiolation of (E)-beta-iodovinyl sulfones with thiols under the influence of K2CO3/DMSO at room temperature for quick assembly of (E)-1,2-dithio-1-alkenes is presented. Solvent-induced stereoselective monosulfenylation of (E)-beta-iodovinyl sulfones with thiols has also been established for the synthesis of both (E)- and (Z)-1,2-thiosulfonylethenes in MeCN and MeOH, respectively. Moreover, K2CO3-mediated desulfonylative-sulfenylation of (Z)-1,2-thiosulfonylethenes with thiols in DMSO furnished unsymmetrical (Z)-1,2-dithio-1-alkenes for the first time. The solvent-dependent versatile reactivity of (E)-beta-iodovinyl sulfones has been successfully explored to provide a set of (E)-/(Z)-1,2-dithio-1-alkenes and (E)-/(Z)-1,2-thiosulfonyl-1-alkenes in good to high yields with excellent stereoselectivities. Notably, this operationally simple process utilizes a broad substrate scope with good functional group tolerance and compatibility. The efficacy of the process has been proven for gram-scale reactions, and plausible mechanistic models are outlined on the basis of experimental results and control experiments.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c02444}, author = {Reddy, Raju Jannapu and Kumari, Arram Haritha and Sharadha, Nunavath and Krishna, Gamidi Rama} } @article {48211, title = {Spinel magnesium ferrite (MgFe2O4): a glycine-assisted colloidal combustion and its potentiality in gas-sensing application}, journal = {Chemosensors}, volume = {10}, year = {2022}, month = {SEP}, pages = {361}, type = {Article}, abstract = {

Herein, we describe the facile synthesis of spinel MgFe2O4 ferrite and its potential use as a gas sensor using a straightforward and reliable sol-gel approach, i.e., the glycine-assisted auto-combustion route. The novelty in obtaining the sensing material via the auto-combustion route is its inherent simplicity and capability to produce the material at an industry scale. The said cost-effective process makes use of simple metal salts (Mg and Fe-nitrates) and glycine in an aqueous solution, which leads to the formation of spinel MgFe2O4 ferrite. A single-phase crystallinity with crystallite sizes ranging between 36 and 41 nm was observed for the synthesized materials using the X-ray diffraction (XRD) technique. The porous morphologies of the synthesized materials caused by auto-ignition during the combustion process were validated by the microscopic investigations. The EDS analysis confirmed the constituted elements such as Mg, Fe, and O, without any impurity peaks. The gas-sensing ability of the synthesized ferrites was examined to detect various reducing gases such as LPG, ethanol, acetone, and ammonia. The ferrite showed the highest response (\>80\%) toward LPG with the response and recovery times of 15 s and 23 s, respectively. Though the sensor responded low toward ammonia (similar to 30\%), its response and recovery times were very quick, i.e., 7 s and 9 s, respectively. The present investigation revealed that the synthesized ferrite materials are good candidates for fabricating high-performance sensors for reducing gases in real-world applications.

}, keywords = {Gas sensors, glycine combustion, MgFe2O4, reducing gases}, doi = {10.3390/chemosensors10090361}, author = {Nadargi, Digambar and Umar, Ahmad and Nadargi, Jyoti and Patil, Jayvant and Mulla, Imtiaz and Akbar, Sheikh and Suryavanshi, Sharad} } @article {48134, title = {Sponge microflowers of NiCo2O4: a versatile material for high performance supercapacitor}, journal = {Journal of Porous Materials}, volume = {29}, year = {2022}, month = {AUG}, pages = {1239-1252}, type = {Article}, abstract = {

We report the development of well optimised NiCo2O4 microflowers for high performance supercapacitor application. The efforts were made to optimise the electrode material by tuning the synthetic as well as electrolyte concentration parameters such as (i) hydrothermal reaction temperature, (ii) hydrothermal reaction time, (iii) sintering temperature, and (iv) electrolyte concentration. The physico-chemical and supercapacitive properties were analysed using TGA, XRD, SEM/TEM/HRTEM, XPS, BET, and electrochemical measurements. The well optimised electrode material was obtained at 150 degrees C hydrothermal reaction temperature, 12 h of hydrothermal reaction time, 300 degrees C sintering temperature, and 3 M KOH electrolyte concentration. The optimised sample displayed high specific -capacitance (1478 F/g), -energy density (16.5 Wh/kg), and -power density (248 W/kg). The specific capacitance can be retained to 97.61\% after 1000 cycles. The developed NiCo2O4 microflower structures are well optimised and offer great promise for future industrial applications.

}, keywords = {hydrothermal, Microflowers, Nickel cobaltite, supercapacitor}, issn = {1380-2224}, doi = {10.1007/s10934-022-01247-9}, author = {Ghadage, Ambar and Kodam, Pavan and Nadargi, Digambar and Shinde, K. P. and Mulla, Imtiaz and Park, J. S. and Suryavanshi, Sharad} } @article {48223, title = {Stacking herbicide detoxification and resistant genes improves glyphosate tolerance and reduces phytotoxicity in tobacco (Nicotiana tabacum L.) and rice (Oryza sativa L.)}, journal = {Plant Physiology and Biochemistry}, volume = {189}, year = {2022}, month = {OCT}, pages = {126-138}, type = {Article}, abstract = {

Glyphosate residues retained in the growing meristematic tissues or in grains of glyphosate-resistant crops affect the plants physiological functions and crop yield. Removing glyphosate residues in the plants is desirable with no penalty on crop yield and quality. We report a new combination of scientific strategy to detoxify glyphosate that reduces the residual levels and improve crop resistance. The glyphosate detoxifying enzymes Aldo-keto reductase (AKR1) and mutated glycine oxidase (mGO) with different modes of action were co-expressed with modified EPSPS, which is insensitive to glyphosate in tobacco (Nicotiana tabacum L.) and rice (Oryza sativa L.). The transgenic tobacco plants expressing individual PsAKR1, mGO, CP4-EPSPS, combinations of PsAKR1:CP4EPSPS, PsAKR1:mGO, and multigene with PsAKR1: mGO: CP4EPSPS genes were developed. The bio-efficacy studies of in-vitro leaf regeneration on different concentrations of glyphosate, seedling bioassay, and spray on transgenic tobacco plants demonstrate that glyphosate detoxification with enhanced resistance. Comparative analysis of the transgenic tobacco plants reveals that double and multigene expressing transgenics had reduced accumulation of shikimic acid, glyphosate, and its primary residue AMPA, and increased levels of sarcosine were observed in all PsAKR1 expressing transgenics. The multigene expressing rice transgenics showed improved glyphosate resis-tance with yield maintenance. In summary, results suggest that stacking genes with two different detoxification mechanisms and insensitive EPSPS is a potential approach for developing glyphosate-resistant plants with less residual content.

}, keywords = {Detoxification, Gene stacking, Glyphosate, Herbicide, Multigene, Residual toxicity, Resistant, rice, Tobacco, Transgenics}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2022.08.025}, author = {Vennapusa, Amaranatha Reddy and Agarwal, Subham and Hm, Hanumanth Rao and Aarthy, Thiagarayaselvam and Babitha, K. C. and Thulasiram, V. Hirekodathakallu and Kulkarni, Mahesh J. and Melmaiee, Kalpalatha and Sudhakar, Chinta and Udayakumar, M. and Vemanna, Ramu S.} } @article {48168, title = {Statistical optimization of media for enhancing intracellular lipid content in Yarrowia lipolytica NCIM 3589 grown on waste cooking oil for biodiesel production}, journal = {Journal of the American Oil Chemists Society}, volume = {99}, year = {2022}, month = {OCT}, pages = {55-56}, type = {Meeting Abstract}, issn = {0003-021X}, author = {Jagtap, Shubhangi Ramling and RaviKumar, Ameeta and Raut, Gouri and Kumar, V. Ravi} } @article {47757, title = {Steroidal alkaloids defence metabolism and plant growth are modulated by the joint action of gibberellin and jasmonate signalling}, journal = {New Phytologist}, volume = {233}, year = {2022}, month = {FEB}, pages = {1220-1237}, type = {Article}, abstract = {Steroidal glycoalkaloids (SGAs) are protective metabolites constitutively produced by Solanaceae species. Genes and enzymes generating the vast structural diversity of SGAs have been largely identified. Yet, mechanisms of hormone pathways coordinating defence (jasmonate; JA) and growth (gibberellin; GA) controlling SGAs metabolism remain unclear. We used tomato to decipher the hormonal regulation of SGAs metabolism during growth vs defence tradeoff. This was performed by genetic and biochemical characterisation of different JA and GA pathways components, coupled with in vitro experiments to elucidate the crosstalk between these hormone pathways mediating SGAs metabolism. We discovered that reduced active JA results in decreased SGA production, while low levels of GA or its receptor led to elevated SGA accumulation. We showed that MYC1 and MYC2 transcription factors mediate the JA/GA crosstalk by transcriptional activation of SGA biosynthesis and GA catabolism genes. Furthermore, MYC1 and MYC2 transcriptionally regulate the GA signalling suppressor DELLA that by itself interferes in JA-mediated SGA control by modulating MYC activity through protein-protein interaction. Chemical and fungal pathogen treatments reinforced the concept of JA/GA crosstalk during SGA metabolism. These findings revealed the mechanism of JA/GA interplay in SGA biosynthesis to balance the cost of chemical defence with growth.}, keywords = {alpha-tomatine, defence, gibberellin (GA), growth, jasmonate (JA), steroidal glycoalkaloids (SGAs), Tomato}, issn = {0028-646X}, doi = {10.1111/nph.17845}, author = {Panda, Sayantan and Jozwiak, Adam and Sonawane, Prashant D. and Szymanski, Jedrzej and Kazachkova, Yana and Vainer, Andrii and Kilambi, Himabindu Vasuki and Almekias-Siegl, Efrat and Dikaya, Varvara and Bocobza, Samuel and Shohat, Hagai and Meir, Sagit and Wizler, Guy and Giri, Ashok P. and Schuurink, Robert and Weiss, David and Yasuor, Hagai and Kamble, Avinash and Aharoni, Asaph} } @article {48098, title = {Strain-enhanced phase transformation of iron oxide for higher alcohol production from CO2}, journal = {ACS Catalysis}, volume = {12}, year = {2022}, month = {SEP}, pages = {11118-11128}, type = {Article}, abstract = {

Conversion of CO2 to higher alcohols (HAs) and higher hydrocarbons (HCs) has a greater advantage compared to C1 products because of their high energy density and wide range of applications in daily life. Despite the immense potential of these chemicals, not much of scientific research has been focused on the conversion of CO2 to HAs. In the present work, we have introduced the concept of strain in designing the material to enhance the CO(2 )to HA performance. We introduced strain in a traditional iron-based catalyst, Fe2O3, by the introduction of indium (In), which facilitates the selective conversion of CO2 to HA. An optimum strain favored a 36.7\% CO2 conversion with a 42\% HA selectivity, and a record yield of 15.42\%. The strain has been tuned further with the introduction of K as a promoter. The introduced strain upon In substitution and K promotion favored the conversion of CO2, which is mapped by powder X-ray diffraction, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy. Further, the change in the mechanism upon In incorporation and K promotion has been probed by in situ diffuse reflectance infrared fourier transform spectroscopy, and it is found that the OCHx intermediate, which produces HAs, is more prominent upon In substitution, which favored the enhancement of HA production compared to that of pristine Fe2O3.

}, keywords = {CO2 to HA, Fischer-Tropsch synthesis (FTS), Phase transformation, reverse water gas shift (RWGS) reaction, strain}, issn = {2155-5435}, doi = {10.1021/acscatal.2c0318311118}, author = {Goud, Devender and Churipard, Sathyapal R. and Bagchi, Debabrata and Singh, Ashutosh Kumar and Riyaz, Mohd and Vinod, C. P. and Peter, Sebastian C.} } @article {48368, title = {Structure-property insights into chiral thiophene copolymers by direct heteroarylation polymerization}, journal = {European Polymer Journal}, volume = {181}, year = {2022}, month = {DEC }, pages = {111676}, type = {Article}, abstract = {

Chiral thiophene copolymers with fluorene as co monomer are designed having N-Boc-L-glutamic acid-1-tert-butyl ester as a chiral substituent located either on the thiophene unit or the fluorene unit with varying spacer length. The atom-economic direct heteroarylation polymerization (DHAP) method is utilized for the polymerization. Gibb{\textquoteright}s free energy (delta G) for polymerization determined using DFT calculations indicate difficulty in achieving high molar mass when the bulky chiral substituents are attached through short spacer to the backbone. The experimental observations are in agreement with the theoretical calculations with no polymer-ization or very low molar mass sticky compounds obtained for reactions with predicted + \& UDelta;G values. Structure -property relationship are compared for two chiral polymers -P4 and P5 having the chiral substitution on thiophene and fluorene units respectively. No CD signal is observed in THF-a good solvent where the polymers are molecularly dissolved. Intense bisignated CD signal is observed for both polymers upon addition of methanol - a poor solvent, to their THF solution. The bisignate CD signal with maxima at lower wavelength and inflection point associated with the pi-pi* absorption band is characteristic of exciton coupling between polymer chains in a left handed helical orientation. Small differences are observed in the intensity of the CD signal for the polymers P4 and P5 highlighting the impact of steric hindrance of bulky pendant groups on polymer conformation. DHAP is an atom economic polymerization procedure that can be gainfully utilized for developing chiral conjugated polymers.

}, keywords = {chiral, DFT, Direct heteroarylation polymerization, Gibb?s free energy, Steric Hindrance}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2022.111676}, author = {Nikam, Shrikant B. and Singh, Chandrodai Pratap and Krishnamurty, Sailaja and Asha, S. K.} } @article {48088, title = {Structure-tailored surface oxide on Cu-Ga intermetallics enhances CO2 reduction selectivity to methanol at ultralow potential}, journal = {Advanced Materials}, volume = {34}, year = {2022}, month = {MAY}, pages = {2109426}, type = {Article}, abstract = {

Electrochemical CO2 reduction reaction (eCO(2)RR) is performed on two intermetallic compounds formed by copper and gallium metals (CuGa2 and Cu9Ga4). Among them, CuGa2 selectively converts CO2 to methanol with remarkable Faradaic efficiency of 77.26\% at an extremely low potential of -0.3 V vs RHE. The high performance of CuGa2 compared to Cu9Ga4 is driven by its unique 2D structure, which retains surface and subsurface oxide species (Ga2O3) even in the reduction atmosphere. The Ga2O3 species is mapped by X-ray photoelectron spectroscopy (XPS) and X-ray absorption fine structure (XAFS) techniques and electrochemical measurements. The eCO(2)RR selectivity to methanol are decreased at higher potential due to the lattice expansion caused by the reduction of the Ga2O3, which is probed by in situ XAFS, quasi in situ powder X-ray diffraction, and ex situ XPS measurements. The mechanism of the formation of methanol is visualized by in situ infrared (IR) spectroscopy and the source of the carbon of methanol at the molecular level is confirmed from the isotope-labeling experiments in presence of (CO2)-C-13. Finally, to minimize the mass transport limitations and improve the overall eCO(2)RR performance, a poly(tetrafluoroethylene)-based gas diffusion electrode is used in the flow cell configuration.

}, keywords = {(2) reduction, CO, Electrochemistry, Methanol}, issn = {0935-9648}, doi = {10.1002/adma.202109426}, author = {Bagchi, Debabrata and Raj, Jithu and Singh, Ashutosh Kumar and Cherevotan, Arjun and Roy, Soumyabrata and Manoj, Kaja Sai and Vinod, C. P. and Peter, Sebastian C.} } @article {47642, title = {Studies directed toward the synthesis of hedycoropyrans: total synthesis of des-hydroxy (-)-hedycoropyran B (ent-rhoiptelol B)}, journal = {Organic \& Biomolecular Chemistry}, volume = {20}, year = {2022}, month = {JAN }, pages = {444-463}, type = {Article}, abstract = {A full account of our efforts directed towards the synthesis of the diarylheptanoid-derived natural products hedycoropyrans that led to the total synthesis of ent-rhoiptelol B is described. In this endeavor, we have attempted two distinct synthetic strategies to access hedycoropyrans A and B, which led us to establish a facile synthetic route for des-hydroxy (-)-hedycoropyran B (ent-rhoiptelol B) from simple and readily accessible building blocks of 4-allylanisole and vanillin, employing Sharpless asymmetric epoxidation, CBS reduction, and an intramolecular AgOTf-catalyzed oxa-Michael reaction of suitably functionalized hydroxy-ynone as key transformations. The investigations disclosed herein will provide insights into designing novel synthetic routes for THP-DAH-derived natural products.}, issn = {1477-0520}, doi = {10.1039/d1ob01972d}, author = {Kataria, Priyanka and Nomula, Rajesh and Kontham, Ravindar} } @article {48045, title = {Studies directed toward the total synthesis of nannocystin A}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {NOV}, pages = {e202203893}, type = {Article}, abstract = {

A full account of our efforts directed toward the stereoselective total synthesis of nannocystin A, a macrocyclic myxobacterial metabolite, is presented. In this endeavor, we have attempted two distinct synthetic routes to access polyketide fragment (C1-C11) of macrocyclic depsipeptide (21-membered) natural product from readily accessible building blocks 1,3-propanediol and benzaldehyde employing Evans aldol, CBS reduction, Heck cross-coupling, and Sharpless asymmetric epoxidation as key transformations. Ultimately, accomplished the synthesis of the complete skeleton (21-membered precursor for macrocyclic depsipeptide) of the nannocystin A possessing desired stereochemistry and functional groups.

}, keywords = {amidation, Depsipeptide, Evans aldol reaction, Macrocycle, Nannocystins}, issn = {2365-6549}, doi = {10.1002/slct.202203893}, author = {Nomula, Rajesh and Pratapure, Madhukar S. and Kontham, Ravindar} } @article {48060, title = {Studies in instant water disinfection using natural oils}, journal = {Biochemical Engineering Journal}, volume = {187}, year = {2022}, month = {NOV}, pages = {108631}, type = {Article}, abstract = {

The present research reveals an instant and simple process for drinking water treatment by employing specific natural oils having antimicrobial properties to ensure complete elimination of harmful bacteria. The disinfection was studied for two different model bacteria, Gram-negative E. coli and Gram-positive, S. aureus. Seven natural oils, ajwain, thyme, oregano, peppermint, harsingar, cinnamon leaf and black pepper oil were evaluated and were found to yield 100\% water disinfection within 1 min except for harsingar and black pepper oil. The process was also effective for the instant and 100\% disinfection of real well water. The methodology for altering zeta potential, to an extent of 130\%, for instant disinfection in drinking water treatment helps in selecting natural oils. Molecular docking studies indicated natural oils action as potential inhibitors of bacterial DNA gyrase. The studies indicate one of the lowest operating costs comparable to conventional chlorination. The simple meth-odology not requiring complex equipment has the potential to provide many options for implementations-from portability, household application to large scale water treatment plants.

}, keywords = {Bacteria removal, Natural oil, Technology, Water treatment, Zeta potential}, issn = {1369-703X}, doi = {10.1016/j.bej.2022.108631}, author = {Dixit, Divya and Bhandari, Vinay M. and Mane, Maya B. and Balapure, Kshama} } @article {48008, title = {Studies toward the total synthesis of (+)-neopeltolide using N-heterocyclic carbene-catalyzed oxo-acyloxylation/reductive oxa-Michael addition strategy}, journal = {Bulletin of the Korean Chemical Society}, volume = {43}, year = {2022}, month = {OCT}, pages = {1169-1172}, type = {Article}, abstract = {

This article describes a concise synthesis of two important fragments (tetrahydropyran [THP] and ketone moieties) of the cytotoxic macrolide (+)-neopeltolide in 10 long linear steps in enantiomerically pure form. Asymmetric Keck allylation to install the required C11 and C13 stereocenters, N-heterocyclic carbene (NHC)-catalyzed oxoacyloxylation to functionalize alkenes, and reductive oxa-Michael addition to construct 2,6-difunctionalized THP unit intramolecularly are the important steps in synthetic efforts. Finally, Keck asymmetric allylation and Lewis acid-catalyzed diastereoselective allylation of the aldehyde were sequentially employed to establish the stereocenters at C11 and C13 positions, respectively.

}, keywords = {(+)-neopeltolide, Keck allylation, Macrolide, NHC-catalyzed oxoacyloxylation, reductive oxa-Michael addition}, issn = {0253-2964}, doi = {10.1002/bkcs.12604}, author = {Reddi, Rambabu N. and Sudalai, Arumugam and Jo, Changbum} } @article {48092, title = {Study on anisotropy in wire arc additively manufactured Inconel 625 multi-layered wall and its correlation with molten pool thermal history}, journal = {Materials Science and Engineering A-Structural Materials Properties Microstructure and Processing}, volume = {840}, year = {2022}, month = {APR}, pages = {142865}, type = {Article}, abstract = {

In the present study, the variation in molten pool thermal history with layer number during wire arc additive manufacturing of Inconel 625 wall was investigated. Further, its effect on the evolution of microstructure and anisotropy in mechanical and corrosion properties was reported. During the deposition process, the molten pool thermal history was monitored using a non-contact type IR pyrometer operating at 1.6 mu m wavelength. A total number of 40 layers were deposited, building a wall of 60 mm height. With an increase in layer number, the molten pool lifetime and cooling rate were found to increase and decrease, respectively, resulting in coarse grains and increased elemental segregation or Laves phase formation. To investigate its effect on mechanical properties, the samples were collected in a skewed fashion along the height with orientation in the deposition direction. The tensile specimens collected close to the substrate exhibited better strength and ductility, while the samples from the top location of the wall exhibited a relatively brittle mode of fracture, which was investigated by carrying out the fracture surface analysis using SEM. Corrosion test was also conducted along the height of the wall, wherein the samples close to substrate exhibited better corrosion resistance due to refined microstructure and low elemental segregations. Further, EDS, XRD analysis and hardness test were carried out to investigate the elemental composition, variation in phases and hardness with layer number, respectively.

}, keywords = {anisotropy, Layer number, mechanical properties, Molten pool thermal history, Wire arc additive manufacturing}, issn = {0921-5093}, doi = {10.1016/j.msea.2022.142865}, author = {Nagallapati, Vishwanath and Choudhary, Amit and Torris, Arun and Muvvala, Gopinath and Dadasaheb, Sagar Pawar and Gudur, Srinath Ellaswamy} } @article {48055, title = {Subcritical water hydrolysis of N-acetyl-D-glucosamine: hydrolysis mechanism, reaction pathways and optimization for selective production of 5-HMF and levulinic acid}, journal = {Carbohydrate Research}, volume = {516}, year = {2022}, month = {JUN}, pages = {108560}, type = {Article}, abstract = {

In this study, the subcritical water hydrolysis of N-acetyl-D-glucosamine (NAG), a monomer of abundant renewable marine biopolymer chitin, for production of value-added chemicals is investigated. The enhanced ionization of water at subcritical conditions (200 degrees C; 50-100 bar), provides enough acidity for deacetylation of NAG resulting in 80\% yield of acetic acid along with traces of formic acid, lactic acid, glucose, fructose, 5hydroxymethylfurfural (5-HMF),etc. The significant humin formation indicates that the self-condensation and polymerisation of 5-HMF is favored in water at subcritical conditions. A catalyst p-toluenesulfonic acid (p-TsOH) was employed to selectively convert NAG to levulinic acid (LA) via ring opening of 5-HMF previously formed during hydrolysis. The maximum yield of 27.13 +/- 1\% and 53.46 +/- 1\% of 5-HMF and LA, respectively, was obtained at process conditions optimized using Box-Behnken design coupled with response surface methodology. Subcritical water enables greener conversion of NAG to platform chemicals wherein the selective production can be achieved by tuning the process conditions.

}, keywords = {5-Hydroxymethylfurfural, chitin, Glucosamine, levulinic acid, Response surface methodology, Subcritical water}, issn = {0008-6215}, doi = {10.1016/j.carres.2022.108560}, author = {Kulkarni, Sphurti Prakash and Dure, Shital N. and Joshi, Sunil S. and V. Pandare, Kiran and Mali, Nilesh A.} } @article {48149, title = {Substitution at sp(3) boron of a six-membered NHC center dot BH3: convenient access to a dihydroxyborenium cation}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {MAR }, pages = {3783-3786}, type = {Article}, abstract = {

Herein, we have undertaken the synthesis and investigated the reactivity of a 6-membered saturated NHC borane adduct (1). Direct electrophilic halogenation of 1 with a stoichiometric amount of I-2 led to NHC boryl iodides, 6-SIDipp center dot BH2I (2) and 6-SIDipp center dot BHI2 (3), which were further reacted with various nucleophiles to give novel 6-SIDipp based mono and disubstituted boranes with OTf (4 and 6) or ONO2 (5 and 7) functional groups. The addition of Br-2/H2O to 1 smoothly results in a dihydroxyborenium cation (8).

}, issn = {1359-7345}, doi = {10.1039/d1cc06816d}, author = {Kundu, Gargi and Ajithkumar, V. S. and Raj, K. Vipin and Vanka, Kumar and Tothadi, Srinu and Sen, Sakya S.} } @article {48043, title = {Substrate induced dynamical remodeling of the binding pocket generates GTPase specificity in DOCK family of guanine nucleotide exchange factors}, journal = {Biochemical and Biophysical Research Communications}, volume = {631}, year = {2022}, month = {NOV}, pages = {32-40}, type = {Article}, abstract = {

Dedicator of cytokinesis (DOCK) family of guanine nucleotide exchange factors (GEFs) activate two members of Rho family GTPases, Rac1/Cdc42, to exert diverse cellular processes, including cell migration. As DOCK GEFs have been critically implicated in tumour cell migration, understanding their function and specificity is imperative for designing anti-metastatic drugs. Based on their GTPase specificity they have been classified as Rac, Cdc42 and dual specific GEFs. Despite extensive structural studies, the factors that determine GTPase specificity of DOCK GEFs have remained elusive. Here, we show that subtle dynamical coupling between GEF and GTPase structures modulate the binding interface to generate mutual spec-ificity. To cluster the dynamically coupled residues in GEF-GTPase complexes a novel intra-residue backbone-torsion-angles based mutual information (TMI) technique was employed. TMI was calcu-lated from 4500 trajectories obtained from a total of 4.5ms molecular dynamics simulations performed on members of all the three clades of DOCK GEFs. The obtained clusters suggest a specificity generation mechanism that involves optimization of the binding pocket for the crucial divergent residue at the 56th position of Rac/Cdc42 (FCdc42/WRac1). These clusters encompass five residues from the structural segment lobe C -a10 helix of the DOCK proteins and functional SWI region of GTPase, which induce orchestrated structural modulations to generate the specificity. Even the conserved residues from SWI region are seen to augment the specificity defining dynamical rearrangements. Furthermore, the pro-posed dynamical GTPase-DOCK GEF specificity model was verified using mutagenesis studies on Rac1 and dual GTPase specific Dock2 and Dock6, respectively. Thus the current study provides the generic substrate specificity determinants of DOCK GEFs, which are not apparent from the conventional struc-tural analysis.(c) 2022 Elsevier Inc. All rights reserved.

}, keywords = {Dedicator of cytokinesis, GTPase specificity, Guanine exchange factors, Molecular dynamics simulations, Mutual information, Rho GTPases}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2022.09.059}, author = {Roy, Debopriya and Sengupta, Durba and Kulkarni, Kiran} } @article {48430, title = {Suitability of different supported Ru, Pt and Ni catalysts for the hydrogenolysis of sorbitol}, journal = {Results in Engineering}, volume = {15}, year = {2022}, month = {SEP}, pages = {100594}, type = {Article}, abstract = {

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

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

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

}, doi = {10.1016/j.rineng.2022.100594}, author = {Kandasamy, Thirunavukkarasu and Banu, Marimuthu and Shanthi, R. Vijaya and Sivasanker, S.} } @article {48380, title = {Sulfur functionalization via epoxide ring opening on a reduced graphene oxide surface to form metal (II) Organo-bis-[1,2]-oxathiin}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {JAN}, pages = {279-286}, type = {Article}, abstract = {

The epoxide ring-opening reaction in graphene oxide (GO) by nucleophiles is a very fascinating and advanced methodology to develop novel functional material. Herewith, we report an advanced strategy for opening the epoxide ring on the rGO surface via easily an available nucleophile (Na2S), which is further functionalized with O atom to obtain four-membered rings (FMRs). The Cd coordination with the S atom puts extra stress on the FMR leading to the C-C bond cleavage of the four-membered heteroatomic rings on the rGO surface. This strategic approach leads to the fabrication of an innovative metal organo-bis-[1,2]-oxathiin (MOBOT) chemical moiety (M = Cd, Zn). The MOBOT compound further shows enhanced H-2 generation activity and hence is promising as a potential photocatalyst for solar hydrogen generation. This compound might also be a potential candidate for optoelectronic applications.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.1c02819}, author = {Kumar, Praveen and Bajpai, Himanshu and Gopinath, Chinnakonda S. and Luwang, Meitram Niraj} } @article {48131, title = {SUMOylation of dorsal attenuates Toll/NF-kappa B signaling}, journal = {Genetics}, volume = {221}, year = {2022}, month = {JUL }, type = {Article}, abstract = {

In Drosophila, Toll/NF-kappa B signaling plays key roles in both animal development and in host defense. The activation, intensity, and kinetics of Toll signaling are regulated by posttranslational modifications such as phosphorylation, SUMOylation, or ubiquitination that target multiple proteins in the Toll/NF-kappa B cascade. Here, we have generated a CRISPR-Cas9 edited Dorsal (DL) variant that is SUMO conjugation resistant. Intriguingly, embryos laid by dl(SCR) mothers overcome dl haploinsufficiency and complete the developmental program. This ability appears to be a result of higher transcriptional activation by DLSCR. In contrast, SUMOylation dampens DL transcriptional activation, ultimately conferring robustness to the dorso-ventral program. In the larval immune response, dl(SCR) animals show an increase in crystal cell numbers, stronger activation of humoral defense genes, and high cactus levels. A mathematical model that evaluates the contribution of the small fraction of SUMOylated DL (1-5\%) suggests that it acts to block transcriptional activation, which is driven primarily by DL that is not SUMO conjugated. Our findings define SUMO conjugation as an important regulator of the Toll signaling cascade, in both development and host defense. Our results broadly suggest that SUMO attenuates DL at the level of transcriptional activation. Furthermore, we hypothesize that SUMO conjugation of DL may be part of a Ubc9-dependent mechanism that restrains Toll/NF-kappa B signaling.

}, keywords = {Drosophila, haploinsufficiency, innate immunity, SUMO, transcription}, issn = {0016-6731}, doi = {10.1093/genetics/iyac081}, author = {Hegde, Sushmitha and Sreejan, Ashley and Gadgil, Chetan J. and Ratnaparkhi, Girish S.} } @article {48106, title = {Superior processability of Antheraea mylitta silk with cryo-milling: performance in bone tissue regeneration}, journal = {International Journal of Biological Macromolecules}, volume = {213}, year = {2022}, month = {JUL}, pages = {155-165}, type = {Article}, abstract = {

Non-mulberry silk polymers have a promising future in biomedical applications. However, the dissolution of nonmulberry silk fiber is a still challenge and this poor processability has limited the use of this material. Here, we report a unique protocol to process the Antheraea mylitta (AM) silk fiber. We have shown that the cryo-milling of silk fiber reduces the beta sheet content by more than 10\% and results in an SF powder that completely dissolves in routine solvents like trifluoroacetic acid (TFA) within few hours to form highly concentrated solutions (\~20 wt \%). Further, these solutions can be processed using conventional processing techniques such as electrospinning to form 3D scaffolds. Bombyx mori (BM) silk was used as a control sample in the study. In-vitro studies were also performed to monitor cell adhesion and proliferation and hMSCs differentiation into osteogenic lineage. Finally, the osteogenic potential of the scaffolds was also evaluated by a 4-week implantation study in rat calvarial model. The in-vitro and in-vivo results show that the processing techniques do not affect the biocompatibility of the material and the AM scaffolds support bone regeneration. Our results, thus, show that cryo-milling facilitates enhanced processability of non-mulberry silk and therefore expands its potential in biomedical applications.

}, keywords = {Bone tissue engineering, Calvarial defect, hMSCs, Non-mulberry silk fiber, Processing technique}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2022.05.122}, author = {Parekh, Nimisha and Bijosh, C. K. and Kane, Kartiki and Panicker, Alaka and Nisal, Anuya and Wangikar, Pralhad and Agawane, Sachin} } @article {47824, title = {Surface alteration driven bi-functional catalytic activity of alkali niobate-N doped graphene composite for exalted oxygen electrochemistry}, journal = {Applied Surface Science}, volume = {580}, year = {2022}, month = {APR}, pages = {152160}, type = {Article}, abstract = {In this work, we establish that surface reconstruction, oxygen vacancies {\textemdash}specifically those located on the catalyst surface, and high crystallinity can be effective in tuning the catalytic activity of perovskite oxides. We report a high-performance electrocatalyst with an orthorhombic perovskite structure (NaNbO3), having an anisotropic surface layer and high crystallinity that exhibits superior activity and durability for the bi-functional oxygen electrochemistry compared to that of a similar perovskite composition with an isotropic surface layer and low crystallinity. The improvement in the electrocatalytic activity for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) is mainly attributed to the formation of an easy diffusion path on the surface layer due to the ionic movements, enhanced intrinsic activity of the catalytic sites resulting from the higher crystallinity, high oxygen vacancies and a large electrochemically active surface area. The sole key parameter in achieving all the acquired characteristics is the annealing temperature. We believe that the straightforward method of bringing the desired combination of properties by just tweaking the annealing temperature is handy and energy-efficient, and hence easily adoptable.}, keywords = {Bi-functionality, N-doped graphene, Oxygen Evolution Reaction, oxygen reduction reaction, perovskite, Surface reconstruction}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.152160}, author = {Suman Kumari Jhajharia and Shashaank Gupta and Zinoy Manappadan and Kaliaperumal Selvaraj and Myoor K. Padmanabhan and Roop L. Mahajan} } @article {48000, title = {Sustainable CO2 reduction on in (2)O(3 )with exclusive CO selectivity: catalysis and in situ valence band photoelectron spectral investigations}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {10}, year = {2022}, month = {MAR}, pages = {3521-3531}, type = {Article}, abstract = {

This study demonstrates a sustainable catalytic CO2 conversion to near 100\% CO selectivity at ambient pressure on In2O3. Critically, high CO yield could be observed at the cost of undesired methanation, using a lower than stoichiometric amount of hydrogen in the feed; 1:1 and 1:0.67 CO2:H-2 ratios exhibit 98-99.6\% CO selectivity with 25-38\% CO2 conversion between 773 and 873 K. CO2 and H-2 conversion under steady-state conditions at 773-873 K suggests a 1:1 ratio of adsorbed reactants (with 1:0.67 CO2:H-2 feed) on the catalyst surface, underscoring the presence of an ideal reactant composition for the reverse water-gas shift reaction, while H-2-rich feed compositions show the H-2-dominated surface. Surface electronic structure changes, under near-operating conditions, were explored with near ambient pressure photoelectron spectroscopy (NAPPES), and the interesting findings are as follows: (a) A shift in the valence band to lower binding energy, up to 0.6 eV, was observed because of electron filling at high temperatures. (b) An observation of heterogeneous nature of the catalyst surface under NAPPES measurement conditions is attributed to the generation of active oxygen vacancy (O-v) sites, which in turn changes the work function of In2O3. (c) The above changes are found to be reversible, when the reaction was stopped. Vibrational features of the reactant molecules were observed to be broadened in the active temperature window of the catalyst supporting the heterogeneous character of the catalyst surface because of dynamic O-v generation. By optimizing gas hourly space velocity, CO2:H-2 ratio, and reaction temperature, exclusive CO selectivity is possible with a H-2:CO2 ratio of similar to 0.67, which will avoid the product separation stage altogether, while minimizing the expensive H-2 in the reactant feed.

}, keywords = {heterogeneous catalysis, Oxygen vacancy, photoelectron spectroscopy, RWGS, Work function}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c07897}, author = {Mhamane, Nitin B. and Chetry, Sibo and Ranjan, Ravi and Raja, Thirumalaiswamy and Gopinath, Chinnakonda S.} } @article {48208, title = {Sustainable composite of SnFe2O4 conversion alloying anode for lithium-ion storage}, journal = {Sustainable Energy \& Fuels}, volume = {6}, year = {2022}, month = {AUG }, pages = {3806-3817}, type = {Article}, abstract = {

The development of high-performance, low-cost electrodes using sustainable materials for Li-ion batteries is of vital importance in view of their increasing demand for use in electronics and electric vehicles, as we transition from non-renewable energy resources. Challenges associated with commercial graphite anode materials include relatively low capacity, the use of high-temperature synthesis, Li dendrite formation, and limited rate capability. In this study, we present a tin ferrite SnFe2O4 (SFO) conversion alloying material (CAM), and its synergistic composite with a scalable and low-cost waste-derived carbon (WDC), which was prepared by low-temperature pyrolysis of a waste material sustainably. The combination of SFO with the WDC in the composite boosts the conductivity, diffusion kinetics, stability, and reversibility, and accommodates volume expansion upon cycling. The first charge capacity obtained for WDC, SFO, and SFO-WDC is 595, 1269, and 1331 mA h g(-1), respectively at 100 mA g(-1) in a Li-ion half-cell. In a full cell fabricated with LFP, a stable capacity of 80 mA h g(-1) at 100 mA g(-1) could be obtained, and the corresponding energy density for the SFO-WDCIILFP full cell is 300 W h kg(-1). Kinetic studies revealed that capacitance-controlled charge storage is dominant so the capacity was higher in the composite. This composite system addresses both the low capacity issue of the carbon anode and stability issues of CAMs while being compatible for use with current Li-ion battery technology.

}, issn = {2398-4902}, doi = {10.1039/d2se00919f}, author = {Yadav, Poonam and Parte, Golu and Malik, Wahid and Sabri, Ylias M. and Jones, Lathe A. and Shelke, V. Manjusha} } @article {48158, title = {Sustainable fabrication of copper nanoparticles: a potent and affordable candidate for water treatment, water disinfection, antioxidant activity and theranostic agent}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {APR}, pages = {e202103552}, type = {Article}, abstract = {

This study reports a simple, green, and large-scale biosynthetic fabrication of spherical copper nanoparticles (Cu NPs), approximate 28 nm, using the aqueous extracts of Diaplazium esulentum (Retz.) Sw. fern. Characterization was carried out for morphology, size, elemental analysis, crystallinity and for identification of functionalities responsible for reduction and stabilization. Extraordinary remediation efficiency was obtained for the developed Cu NPs for the elimination of two industrially important pollutants; Methyl Violet 6B and Methylene Blue (greater than 92 \% within 150 mins). A mechanism was postulated for the process using the data on the identification of NPs and also spent NPs apart from degraded products. Furthermore, the Cu NPs revealed excellent antibacterial activity against gram positive bacteria: Staphylococcus aureus, Streptococcus pneumonia and Bacillus subtilis, as well as gram negative bacteria: Pseudomonas aeruginosa, Escherichia coli and potential action against fungal strains; Aspergillus niger and Candida albicans. Additionally, the assay depicted that Cu NPs has fairly decent radical scavenging activity with IC50 value 2.11 mM. Moreover, the Cu NPs were found to exhibit profound anticancerous activity against two human cancer line cells. The present research work has implications for exploitation of DE fern extract for the development of Cu NPs and their numerous applications ranging from pollutants removal to antibacterial, antifungal, antioxidant and anticancerous agents.

}, keywords = {Anticancer, antifungal, Antimicrobial, Antioxidant, Photodegradation and Phytosynthesis}, issn = {2365-6549}, doi = {10.1002/slct.202103552}, author = {Sinha, Tanur and Adhikari, Partha Pradip and Bhandari, Vinay M.} } @article {48013, title = {Synergetic storage of ammonia over Al quantum dots embedded graphene sheets: a first principles perspective}, journal = {International Journal of Hydrogen Energy}, volume = {47}, year = {2022}, month = {OCT }, pages = {36873-36885}, type = {Article}, abstract = {

In view of the increasing energy demand and global warming, it is imperative to search for a renewable and environmental friendly fuel in lieu of non-renewable energy resources. Hydrogen stands out to be the best fuel as both, renewable and clean. Concerning the use of hydrogen as a fuel, its production as well as storage are current global challenges being worked on. In this article, a density functional theory based study is performed to identify the potential of supported Al cluster cages for ammonia storage. In this context, initially, stability of pristine and doped aluminum nanoclusters anchored on graphene sheet is evaluated following which thus supported stable nanoclusters are studied for the adsorption of NH3 to identify their storage capacity. For both, complexes and NH3 adsorbed complexes, Density of States (DOS), Charge Density Difference (CDD) and Bader charge analysis is done to understand their electronic properties.(c) 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Aluminum nanoclusters, Defective graphene, Endohedral doping, NH 3 adsorption}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2022.08.268}, author = {Singh, Chandrodai Pratap and Krishnamurty, Sailaja} } @article {48347, title = {Synergistic and competitive lipid interactions in the serotonin1A receptor microenvironment}, journal = {ACS Chemical Neuroscience}, volume = {13}, year = {2022}, month = {DEC }, pages = {3403-3415}, type = {Article}, abstract = {

The interaction of lipids with G-protein-coupled receptors (GPCRs) has been shown to modulate and dictate several aspects of GPCR organization and function. Diverse lipid interaction sites have been identified from structural biology, bioinformatics, and molecular dynamics studies. For example, multiple cholesterol interaction sites have been identified in the serotonin1A receptor, along with distinct and overlapping sphingolipid interaction sites. How these lipids interact with each other and what is the resultant effect on the receptor is still not clear. In this work, we have analyzed lipid-lipid crosstalk at the receptor of the serotonin1A receptor embedded in a membrane bilayer that mimics the neuronal membrane composition by long coarse-grain simulations. Using a set of similarity coefficients, we classified lipids that bind at the receptor together as synergistic cobinding, and those that bind individually as competitive. Our results show that certain lipids interact with the serotonin1A receptor in synergy with each other. Not surprisingly, the ganglioside GM1 and cholesterol show a synergistic cobinding, along with the relatively uncommon GM1-phosphatidylethanolamine (PE) and cholesterol-PE synergy. In contrast, certain lipid pairs such as cholesterol and sphingomyelin appear to be in competition at several sites, despite their coexistence in lipid nanodomains. In addition, we observed intralipid competition between two lipid tails, with the receptor exhibiting increased interactions with the unsaturated lipid tails. We believe our work represents an important step in understanding the diversity of GPCR-lipid interactions and exploring synergistic cobinding and competition in natural membranes.

}, keywords = {GPCR, lipid crosstalk, Martini coarse-grain simulations, Membrane cholesterol, neuronal membranes}, issn = {1948-7193}, doi = {10.1021/acschemneuro.2c00422}, author = {Mohole, Madhura and Sengupta, Durba and Chattopadhyay, Amitabha} } @article {48183, title = {Synergistic electronic effects in AuCo nanoparticles stabilized in a triazine-based covalent organic framework: a catalyst for methyl orange and methylene blue reduction}, journal = {ACS Applied Nano Materials}, volume = {5}, year = {2022}, month = {APR }, pages = {4744-4753}, type = {Article}, abstract = {

Developing stable active catalysts for reducing water-soluble pollutants is a desirable target. In this pursuit, we have functionalized covalent organic frameworks (COFs) with gold (Au) and cobalt (Co) nanoparticles via a one-step aqueous synthesis process, and their catalytic activity in reducing methyl orange and methylene blue is examined. Operando absorbance measurements of methyl orange (anionic dye) reduction revealed AuCoCOF (1.3 Au/1.0 Co) to have superior kinetics over many other catalysts, which typically require additional external stimuli (e.g., photons) and higher catalyst loadings. After confirming the homogeneous dispersion of the nanoparticles on the COF support using three-dimensional (3D) tomography and material stability through powder X-ray diffraction (PXRD), infrared (IR), and thermal studies, we investigated their redox activity. Cyclic voltammetry (CV) confirmed the involvement of both metals in the redox process, while spectroelectrochemical measurements show that their activity and kinetics remain unaltered by an applied potential. Solid-state UV measurements reveal that the neat COF is a semiconductor with a large band gap (2.8 eV), which is substantially lowered when loaded with cobalt nanoparticles (2.2 eV for CoCOF). The electronic synergy between Au and Co nanoparticles further reduces the band gap of AuCoCOF (1.9 eV). Thus, there is a definite advantage in doping non-noble metal nanoparticles into a noble metal lattice and nanoconfining them into a porous COF support. Our study highlights the significance of bimetallic COF-supported nanocatalysts, wherein one can engage each component toward targeted applications that demand redox activity with favorable kinetics.

}, keywords = {AuCoCOF, band gaps, Covalent organic framework, methyl orange reduction, Nanoparticles, UV-vis spectroscopy}, doi = {10.1021/acsanm.1c04212}, author = {Devulapalli, Venkata Swaroopa Datta and Kushwaha, Rinku and Ovalle, Edwin and Singh, Himan Dev and Shekhar, Pragalbh and Chakraborty, Debanjan and Vinod, Chathakudath Prabhakaran and Vaidhyanathan, Ramanathan and Borguet, Eric} } @article {48165, title = {Synthesis and antimycobacterial screening of a novel series of alpha-amino acids containing thiazole linker}, journal = {ARKIVOC}, year = {2022}, type = {Article}, abstract = {

A small focused library of uncommon (S)-2-amino-3-(4-(((4-methyl-2-arylthiazol-5-yl)methyl)amino)phenyl) propanoic acid (5a-e) and (S)-2-amino-3-(4-(((2-arylthiazol-4-yl)methyl)amino)phenyl)propanoic acid (9a-d) derivatives have been efficiently synthesized by employing molecular simplification. The title compounds were screened for inhibitory activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis (BCG) strains. The cytotoxicity study was conducted against primary Human Umbilical Vein Endothelial Cells (HUVECs), on two different human tumor cells HeLa, and HCT 116 and was observed non-toxic to host cells.

}, keywords = {Amino acid, antibacterial activity, Cytotoxicity, Mycobacterium tuberculosis, synthesis, Thiazole}, issn = {1551-7004}, doi = {10.24820/ark.5550190.p011.831}, author = {Nalawade, Jitendra L. and Mhaske, Pravin C. and Shinde, Abhijit D. and Chavan, Abhijit P. and Abhale, Yogita K. and Sarkar, Dhiman and Bobade, Vivek D.} } @article {48204, title = {Synthesis and characterization of partially biobased aromatic (Co)polycarbonates containing biphenylene units and pendant pentadecyl chains}, journal = {Macromolecular Chemistry and Physics}, volume = {223}, year = {2022}, month = {JUL}, pages = {2100449}, type = {Article}, abstract = {

2-Pentadecyl-[1,1{\textquoteright}{\textquoteright}-biphenyl]-4,4{\textquoteright}{\textquoteright}-diol (PBD) is synthesized starting from cashew nut shell liquid-a by-product of cashew processing industry. A new series of partially biobased aromatic (co)polycarbonates possessing biphenylene units and pendant pentadecyl chains is synthesized by solution polycondensation of PBD or varying compositions of PBD and bisphenol-A with triphosgene in dry dichloromethane. Inherent viscosities and number average molecular weights of (co)polycarbonates are in the range 0.51-1.24 dL g(-1) and 18 x 10(3)- 43.4 x 10(3) g mol(-1), respectively indicating the formation of reasonably high molecular weight polymers. Flexible, transparent, and free-standing films of (co)polycarbonates can be cast from chloroform solution. (Co)polycarbonates are characterized using Fourier transform infrared spectroscopy (FTIR), H-1 NMR, C-13 NMR spectroscopy, X-ray diffraction (XRD), differential scanning calorimetry, and thermogravimetric analysis. T-10 and T-g values of (co)polycarbonates are in the range 417-433 and 8-147 degrees C, respectively. It is demonstrated that the T-g values can be tuned by incorporation of appropriate mol\% of PBD as a comonomer in Bisphenol-A-based copolycarbonates. The lowering of the T-g values of (co)polycarbonates can be attributed primarily to the packing disruptive effect of flexible pentadecyl chains. Furthermore, the effect of incorporation of PBD as a comonomer on water contact angle values of (co)polycarbonates is evaluated.

}, keywords = {aromatic polycarbonates, biobased bisphenol, Cashew nut shell liquid, pentadecyl chain, Renewable resources}, issn = {1022-1352}, doi = {10.1002/macp.202100449}, author = {Ichake, Amol B. and Nagane, Samadhan S. and Jadhav, Uday A. and Torris, Arun and Grau, Etienne and Cramail, Henri and Wadgaonkar, Prakash P.} } @article {48217, title = {Synthesis and crystal structures of Mn(II) and Co(II) complexes as catalysts for oxidation of cyclohexanone}, journal = {Inorganics}, volume = {10}, year = {2022}, month = {JUL}, pages = {100}, type = {Article}, abstract = {

The global demand on adipic usage in the production of plasticizers and synthetic polyamide is increasing. In line with the search for an efficient and energy-conserving way to isolate adipic acid (AA) in good yields, this paper introduces the oxidization of cyclohexanone utilizing two new coordination compounds, [Mn(2,6-pydc)(2)](imi) (1) and [Co(H(2)pza)(2)(H2O)(2)(NO3)].NO3 (2), as catalysts. Compounds 1 and 2 were synthesized by room temperature and refluxing methods, and characterized by spectral analyses (IR and UV-Vis.), SEM, BET, TGA, elemental, and X-ray crystallography. The single crystal structure of compound 1 revealed that pyridinedicarboxylate (2,6-pydc) and imidazole (imi) moieties were coordinated to the Mn(II) atom through imine nitrogen and deprotonated oxygen atoms, to form an undistorted octahedral coordination geometry with the N2O4 donor set. The axial and equatorial planes containing O2, O4, O5, and O7 atoms were from two adjacent 2,6-pydc ligands which formed the unidendate donor ligand; imi, on the other hand, acted as a bidendate donor ligand. For compound 2, the Co(II) atom was being coordinated by two pyrazinamide (H(2)pza) moieties, which acted as an unidendate donor ligand; two water molecules occupying the axial position, and one nitrate molecule occupying the apical position, were within the coordination sphere; a nitrate molecule was disordered outside the coordination sphere. The distance, 4.658 angstrom, between the Co1 atom and the N8 atom of the uncoordinated nitrate molecule, was within the range reported elsewhere. Cyclohexanone peroxidation experiments revealed that compound 1 exhibited unique catalytic performance by giving a 72.8\% yield in adipic acid, in comparison to the 71.3\% yield obtained with compound 2. The yields in AA were maintained by way of recyclability evaluation. The reaction kinetics of compound 2 gave less activation energy, E-a 2938 J mol(-1), while the thermodynamic parameters indicated that the chemical reactivity of cyclohexanone on the active surfaces of compounds 1 and 2 was via monolayer physisorption.

}, keywords = {cobalt, Complexes, cyclohexanone, Imidazole, managanese, Oxidation, pyrazinamide, pyridinedicarboxylate}, doi = {10.3390/inorganics10070100}, author = {Tella, Adedibu C. and Isaac, Aaron Y. and Clayton, Hadley S. and Ogunlaja, Adeniyi S. and Venugopalan, Aswathy T. and Prabu, Marimuthu and Thirumalaiswamy, Raja} } @article {48431, title = {Synthesis and ionic conductivity of calcium-doped ceria relevant to solid oxide fuel cell applications}, journal = {Materials Advances}, volume = {3}, year = {2022}, month = {OCT}, pages = {8780-8791}, type = {Article}, abstract = {

Towards the development of green energy devices, it is necessary to focus on commercial electrolyte materials for intermediate temperature solid oxide fuel cells (IT-SOFCs). Ca-doped ceria (CDC) samples having a composition of Ce(1-x)CaxO2-δ\ (0.03 <=\ x\ <= 0.1) were synthesized by a facile solid-state route and sintered at a lower temperature (1473 K). X-ray diffraction, Raman, X-ray photoelectron, Fourier-transform infrared, UV{\textendash}VIS diffuse reflectance, field emission scanning electron microscopy {\textendash} energy dispersive X-ray with elemental mapping, and electrochemical impedance spectroscopy techniques were used for the characterization of these CDC samples. The 0.10 CDC showed high oxide ion conductivity of 8.01 {\texttimes} 10-3\ S cm-1\ at 973 K with a lower activation energy of 0.78 eV. The 0.03 CDC, 0.05 CDC, and 0.07 CDC samples exhibited ionic conductivities of 1.66 {\texttimes} 10-4, 4.42 {\texttimes} 10-3, and 5.76 {\texttimes} 10-3\ S cm-1\ at 973 K with activation energies of 1.65, 1.01, and 0.92 eV, respectively. The present work aims to develop Ca-doped ceria as economically viable electrolytes for IT-SOFCs.

}, doi = {10.1039/D2MA00868H}, author = {Momin, Naeemakhtar and Manjanna, J. and Kobayashi, Satoru and Aruna, S. T. and Kumar, S. Senthil and Nayaka, G. P.} } @article {48136, title = {Synthesis, characterization and single crystal x-ray structures of trifluroacetylacetonate copper(ii) complexes}, journal = {Journal of Chemical Crystallography}, volume = {52}, year = {2022}, month = {DEC}, pages = {525-533}, type = {Article}, abstract = {

{Three Cu(II) complexes of 1,1,1-trifluoroacetylacetonate, viz. [Cu(TFACAC)(2)(MeOH)] (1), [Cu(TFACAC)(2)(py)] (2) and [Cu(TFACAC)(2)(DABCO)] (3) were synthesized and characterized by elemental analysis, IR, UV-Visible spectroscopy and cyclic voltammetry. Structures of complexes 1-3 were established by single crystal X-ray diffraction wherein 1 and 2 adapt square pyramidal geometry. Complex 1 crystallizes in triclinic space group P-(1), with a = 8.5059(6) angstrom

}, keywords = {Copper(II) complexes, crystal structure, cyclic voltammetry, DABCO, Pyridine, Trifluoroacetylacetone}, issn = {1074-1542}, doi = {10.1007/s10870-022-00937-1}, author = {Kumari, Neha and Bahadur, Vir and Butcher, Raymond J. and Kumbhar, Anupa A.} } @article {48138, title = {Synthesis, characterization and UV-crosslinking of aromatic (Co)polycarbonates bearing pendant azido groups}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {SEP}, pages = {e202201020}, type = {Article}, abstract = {

A new series of (co)polycarbonates bearing pendent azido groups was synthesized by polycondensation of varying molar proportions of 4, 4{\textquoteright}-(5-azidopentane-2, 2-diyl) diphenol and bisphenol-A with triphosgene. The chemical structures, compositions and random nature of (co)polycarbonates were confirmed by NMR spectroscopy. Inherent viscosities and number-average molecular weights of (co)polycarbonates were in the range 0.63-0.77 dL g(-1) and 35,400-43,400 g mol(-1), respectively indicating the formation of reasonably high molecular weight polymers. (Co)polycarbonates could be cast into tough, transparent and flexible films from chloroform solutions. (Co)polycarbonates were further characterized using IR spectroscopy, XRD, TGA and DSC. The thermal crosslinking of (co)polycarbonates bearing pendant azido groups was studied by DSC analysis. Independently, (co)polycarbonates bearing pendant azido groups were exposed to UV irradiation at wavelength of 254 nm and decomposition reaction of azido groups was monitored by FT-IR spectroscopy. The complete decomposition of azido groups was observed with exposure time of 30 min. The formed cross-linked (co)polycarbonates exhibited improved \% char yield values compared to parent (co)polycarbonates. The measurement of mechanical properties of representative crosslinked (co)polycarbonates indicated increase in tensile strength and Young{\textquoteright}s modulus and decrease in \% elongation compared to corresponding parent linear (co)polycarbonates.

}, keywords = {Aromatic polycarbonate, Pendant azido group, solution polycondensation, Triphosgene, UV-crosslinking}, issn = {2365-6549}, doi = {10.1002/slct.202201020}, author = {Nagane, Samadhan S. and Kuhire, Sachin S. and Ichake, Amol B. and Talanikar, Aniket A. and Lochab, Bimlesh and Wadgaonkar, Prakash P.} } @article {48434, title = {Synthesis, crystal structure and Hirshfeld surface analysis of a zinc(II) coordination polymer of 5-phenyl-1,3,4-oxa-diazole-2-thiol-ate}, journal = {Acta Crystallographica Section E Crystallographic Communications}, volume = {87}, year = {2022}, month = {AUG}, pages = {794-797}, type = {Article}, abstract = {

A new zinc coordination polymer with 5-phenyl-1,3,4-oxa-diazole-2-thiol-ate, namely,\ catena-poly[zinc(II)-bis-(μ2-5-phenyl-1,3,4-oxa-diazole-2-thiol-ato)-κ2N3:S;κ2S:N3], [Zn(C8H5N2OS)2]n, was synthesized. The single-crystal X-ray\ diffraction analysis\ shows that the polymeric structure crystallizes in the centrosymmetric monoclinic\ C2/cspace group.\ The ZnII\ atom is coordinated to two S and two N atoms from four crystallographically independent (L) ligands, forming zigzag chains along the [001] direction. This polymer complex forms an eight-membered [Zn{\textendash}S{\textendash}C{\textendash}N{\textendash}Zn{\textendash}S{\textendash}C{\textendash}N] chair-like ring with two ZnII\ atoms and two ligand mol-ecules. On the Hirshfeld surface, the largest contributions come from the short contacts such as\ van der Waals forces,\ including H...H, C...H and S...H. Inter-actions including N...H, O...H and C...C contacts were also observed; however, their contribution to the overall stability of the\ crystal lattice\ is minor.

}, keywords = {3, 4-oxa-diazole-2-thiol; coordination polymer; Hirshfeld surface analysis, crystal structure; zinc complex; 5-phenyl-1}, doi = {10.1107/S2056989022006922}, author = {Pirimova, Mehribon and Torambetov, Batirbay and Kadirova, Shakhnoza and Ziyaev, Abdukhakim and Gonnade, Rajesh G. and Ashurov, Jamshid} } @article {48376, title = {Synthesis of 2D MoO3-x/N-doped-carbon nanocomposites via in situ carbonization of layered (NH4)Mo3O9-(NH4)(2)Mo4O13-organic hybrid nanomaterials for exceptionally efficient adsorption and separation of organic dyes}, journal = {Environmental Science-Nano}, volume = {9}, year = {2022}, month = {DEC}, pages = {4508-4523}, type = {Article}, abstract = {

MoO3-x/N-doped-carbon (MoO3-x/N-C) nanocomposites with nanobelt structures were prepared by the in situ carbonization of the (NH4)Mo3O9-(NH4)(2)Mo4O13/oleylamine-oleic acid hybrids, and were designed using a two-step tailored nanoemulsion method followed by a solvothermal process. The MoO3-x/N-C nanocomposites possess high stability in a wide pH range of 1-11. In addition to the formation mechanism, detailed studies on adsorption properties, including adsorption isotherms, kinetics, mechanism, and reusability of the MoO3-x/N-C nanocomposites were systematically studied. The effects of various parameters on the adsorption characteristics, such as adsorbate concentration, contact time, pH, and temperature, were also evaluated. The detailed investigation of the kinetics and adsorption mechanism of MB from an aqueous solution showed that the adsorption process follows a pseudo-second-order kinetics and intraparticle diffusion model. The adsorption isotherm study demonstrated that the Langmuir isotherm model could illustrate the experimental data with a maximum adsorption capacity value of similar to 1360 mg g(-1), which turns out to be the highest among the previously reported adsorbents based on MoO3 nanomaterials, and is attributed to multiple adsorption mechanisms including electrostatic, pi-pi stacking, and H-bonding interactions between the MB dye and the MoO3-x/N-C nanocomposites. Thermodynamic analysis suggested that MB adsorption onto the MoO3-x/N-C nanocomposites was spontaneous and endothermic. Additionally, the adsorption and desorption cycles were examined for 100 ppm aqueous MB solution, where the removal efficiency by the MoO3-x/N-C nanocomposites remained at similar to 99\% even after four regeneration cycles. Furthermore, the MoO3-x/N-C nanocomposites could selectively adsorb MB from a binary solution mixture containing two times higher concentrations of an anionic dye, methyl orange (MO), and the separation efficiency obtained was similar to 99\% at neutral pH. More significantly, the MoO3-x/N-C nanocomposites could successfully and simultaneously adsorb several cationic dyes, including MB, malachite green (MG), crystal violet (CV), safranin O (SO), and separate an anionic dye, MO, from quaternary and pentanary dye mixture solutions with a separation efficiency of similar to 75\% and 62\%, respectively, at neutral pH. To the best of our knowledge, the effective separation of a single component by molybdenum oxide-based nanomaterials via a simple batch separation technique from a four/five-component mixed interfering analyte, close to a real matrix system, in an aqueous medium at neutral pH has not been reported so far. Therefore, the MoO3-x-based nanocomposite could be a new promising material for application in dye wastewater treatment.

}, issn = {2051-8153}, doi = {10.1039/d2en00668e}, author = {Gaikwad, Supriya Hanmant and Porel Mukherjee, Shatabdi} } @article {48003, title = {Synthesis of a highly electron-deficient, water-stable, large ionic box: multielectron accumulation and proton conductivity}, journal = {Organic Letters}, volume = {24}, year = {2022}, month = {APR 19}, pages = {3038-3042}, type = {Article}, abstract = {

pi-acidic boxes exhibiting electron reservoir and proton conduction are unprecedented because of their instability in water. We present the synthesis of one of the strongest electron-deficient ionic boxes showing e(-) uptake as well as proton conductivity. Two large anions fit in the box to form anion-pi interactions and form infinite anion-solvent wires. The box with NO3-center dot center dot center dot water wires confers high proton conductivity and presents the first example that manifests redox and ionic functionality in an organic electron-deficient macrocycle.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.2c00993}, author = {Shukla, Jyoti and Illathvalappil, Rajith and Kumar, Sharvan and Chorol, Sonam and Pandikassala, Ajmal and Kurungot, Sreekumar and Mukhopadhyay, Pritam} } @article {47985, title = {Synthesis of central spiro-bis-THF fragments of symbiospirols A-C}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {JUL}, pages = {13738-13744}, type = {Article}, abstract = {

The gold catalysed alkynediol spiroketalization to assemble the central spiro-bis-THF fragments (C22-C33 and C36-C47) of symbiospirols A-C is documented. The adopted chiral pool approach employed commercially available d-glucose and l-malic acid in the synthesis of key building blocks. In addition, two other possible diastereomers have been synthesized in order to establish the relative stereochemistry of the unassigned THF-center of symbiospirols B/C.

}, issn = {1144-0546}, doi = {10.1039/d2nj02227c}, author = {Shinde, Mahesh H. and Kona, Chandrababu N. and Ramana, V. Chepuri} } @article {47760, title = {Synthesis of indeno-[1,2-b]-quinoline-9,11(6H,10H)-dione and 7,7-dimethyl-10-aryl-7,8-dihydro-5H-indeno[1,2-b]quinoline-9,11(6H,10H )-dione derivatives in presence of heterogeneous Cu/zeolite-Y as a catalyst}, journal = {RSC Advances}, volume = {12}, year = {2022}, month = {JAN }, pages = {2083-2093}, type = {Article}, abstract = {A simple method for the synthesis of indeno-[1,2-b]-quinoline-9,11-(6H,10H)-dione derivatives and 7,7-dimethyl-10-aryl-7,8-dihydro-5H-indeno[1,2-b]quinoline-9,11(6H,10H )-diones through the reaction of aromatic aldehydes, indan-1,3-dione, dimedone, and p-toluidine/ammonium acetate in the presence of heterogeneous CuO supported on a zeolite-Y catalyst has been investigated in ethanol under reflux conditions. By this method, the reaction time has been reduced, giving an excellent yield of the product. The catalyst was prepared by a hydrothermal method followed by a wet impregnation method. The catalyst had shown Bronsted acid sites and Lewis acid sites. The used catalyst could be actively recycled with a marginal decrease in yield up to five recycles. The prepared catalyst was characterized by FT-IR, pyridine FT-IR, XRD, SEM, EDS, XPS, TEM, and BET surface area analysis. The synthesized compounds were characterized by FT-IR, H-1 NMR, C-13 NMR and GC-MS spectroscopy.}, doi = {10.1039/d1ra06637d}, author = {Dhengale, Shankar D. and Rode, V. Chandrashekhar and Kolekar, Govind B. and Anbhule, V. Prashant} } @article {46623, title = {Synthesis of new thiazole and pyrazole clubbed 1,2,3-triazol derivatives as potential antimycobacterial and antibacterial agents}, journal = {Polycyclic Aromatic Compounds}, volume = {42}, year = {2022}, month = {JUL}, pages = {3216-3237}, type = {Article}, abstract = {

New series of 4-methyl-2-(4-substituted phenyl)-5-(4-((4-(4-substituted phenyl)-1H-1,2,3-triazol-1-yl)methyl)-1-phenyl-1H-pyrazol-3-yl)thiazole, 6a-t and 4-(1,3-diphenyl-1H-pyrazol-4-yl)-1-((1,3-diphenyl-1H-pyrazol-4-yl)methyl )-1H-1,2,3-triazole, 11a-o derivatives have been synthesized by applying copper-catalyzed [3 + 2] cycloaddition reaction. The newly synthesized 1,3-thiazolyl-pyrazolyl-1,2,3-triazole (6a-t) and bis-pyrazolyl-1,2,3-triazole (11a-o) derivatives were screened for in vitro antimycobacterial activity against M. Tuberculosis H37Ra dormant and active and antibacterial activity against four pathogenic bacteria, E. coli (NCIM 2576), P. flurescence (NCIM 2059), S. aureus (NCIM 2602) and B. subtilis (NCIM 2162). Compounds 6a, 6f, 6j, 11e and 11m showed good activity against M tuberculosis H37Ra Active strain, also compounds 6g, 6h, 11f, 11n and 11o showed good activity against M tuberculosis H37Ra Dormant strain. Compounds 6b, 6i, 6l, 6o, 6r, 11k, 11l and 11m showed good activity against B. subtilis with IC50 1.99-2.96 mu g/mL. The antibacterial activity of thiazolyl-pyrazolyl-1,2,3-triazole and bis-pyrazolyl-1,2,3-triazole derivatives suggested that, these derivatives could lead to new compounds for treatment against bacterial infection.

}, keywords = {123-Triazole, antibacterial activity, antimycobacterial activity, Pyrazole, Thiazole}, issn = {1040-6638}, doi = {10.1080/10406638.2020.1857272}, author = {Jagadale, Shivaji M. and Abhale, Yogita K. and Pawar, Hari R. and Shinde, Abhijit and Bobade, Vivek D. and Chavan, Abhijit P. and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {48432, title = {Synthesis of ternary cocrystals, salts, and hydrates of acefylline with enhanced dissolution and high permeability}, journal = {Crystal Growth \& Design}, volume = {22}, year = {2022}, month = {JUN}, pages = {4165{\textendash}4181}, abstract = {

Acefylline (ACF) is a stimulant xanthine derivative drug, which is formulated as a piperazine salt for the treatment of bronchial asthma. ACF falls under BCS class IV category of low solubility and poor permeability, which together limit the bioavailability and efficacy of the drug. In this work, ACF binary and ternary cocrystals, salts{\textendash}cocrystals, and their polymorphs are synthesized by cocrystallization with several coformers. Two different methods were adopted for the supramolecular assembly of the ternary systems A.B.C: (1) first, binary adducts A.B or A.C were crystallized by grinding a slurry of the components in a suitable solvent and then C was added and grinding was continued; and (2) all three components were taken in a solvent slurry and ground together. The former method was found to be superior in affording the ternary salt/cocrystal. The role of laboratory seeding is implicated to explain the variation in crystallization results at different stages of the project. Crystal structures of the product{\textquoteright}s binary and ternary systems were solved by single-crystal X-ray diffraction and powder X-ray diffraction data for structure solution. The crystal structures show the recurrence of carboxylate{\textendash}pyridinium and imidazole{\textendash}acid heterosynthons in the binary and ternary adducts. The intermolecular interactions between ACF and the coformer are analyzed by Hirshfeld surfaces, 2D fingerprint plots, and an energy framework. The permeability of ACF increases in binary and ternary systems with selected coformers. The fast dissolution and high permeability of ACF-PIP make this salt an improved crystalline formulation of acefylline.

}, doi = {10.1021/acs.cgd.2c00184}, author = {Allu, Suryanarayana and Garai, Abhijit and Chernyshev, Vladimir V. and Nangia, Ashwini K.} } @article {48333, title = {Salicylaldehydate coordinated two-dimensional-conjugated metal-organic frameworks}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {FEB }, pages = {2608-2611}, type = {Article}, abstract = {

A novel class of copper-based 2D-c-MOF was synthesized from 1,3,5-triformylphloroglucinol using green mechano-chemistry. Herein, metal coordination with the salicylaldehyde functional moiety was explored for the first time in MOFs. Moreover, an intrinsic semiconductive copper-based SA-MOF thin film was fabricated using an in situ salt-free method at room temperature.

}, issn = {1359-7345}, doi = {10.1039/d2cc06283f}, author = {Mohammed, Abdul Khayum and Pena-Sanchez, Pilar and Pandikassala, Ajmal and Gaber, Safa and AlKhoori, Ayesha A. and Skorjanc, Tina and Polychronopoulou, Kyriaki and Kurungot, Sreekumar and Gandara, Felipe and Shetty, Dinesh} } @article {48462, title = {Scalable optical fiber reactor for photocatalytic H2 production: addressing scattering issues}, journal = {International Journal of Hydrogen Energy}, volume = {48}, year = {2023}, month = {MAY}, pages = {17086-17096}, type = {Article}, abstract = {

Scattering is one of the main challenges in scaling up photocatalytic water splitting using the most prevalent powder catalysts. This can be overcome by decoupling the reaction medium from light transmission, as in the case of optical fibers. Here we explore utilizing optical fibers coated with 5 wt\% CuO supported on TiO2 for photocatlytic H2 production from water-methanol mixtures. CuO/TiO2 is a well studied photo catalyst in which photoreduced Cu species are known to act as sensitizers for inducing visible light activity. Lower activity of sequentially coated systems indicates that appropriate interfaces of active Cu and TiO2 with water are desirable. The scalability of such optical fiber-based systems along with potential in non-potable turbid water media are demonstrated. Maximum activity of 22 mmoles of H2 in 8 h was obtained with 50 mg of catalyst coated on optical fibers, which increases linearly with increase in fiber numbers, whereas, drastic reduction in activity is observed in powder catalyst upon increasing the catalyst quantity. A one-to-one comparison of 700 mg of catalyst in powder form and coated on optical fibers indicates more than one order enhancement in activity in the optical fiber based system. In addition, -70\% retention in activity in highly turbid non-potable water was observed as compared to powdered system which shows complete reduction in the activity by 99.99\%. (c) 2023 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {CuO, Optical fibers, photocatalytic water splitting, TiO2, Total internal reflection, Visible light utilisation}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2023.01.148}, author = {Walko, Priyanka S. and Devi, R. Nandini} } @article {48683, title = {Scalable synthesis of dodecanethiol-capped bismuth nanoparticles by a solvent-free solid-state grinding method for reduction of 4-nitrophenol to 4-aminophenol}, journal = {Langmuir}, volume = {39}, year = {2023}, month = {Aug}, pages = {11888-11897}, type = {Article}, abstract = {

Thiol-capped metal nanoparticles have two constituents:an inorganicmetal and an organic molecule as a shell. Both characters are inbuiltin the structure of the metal thiolate. Herein, we have investigatedbismuth dodecanethiolate as a precursor for the synthesis of dodecanethiol-cappedbismuth nanoparticles (Bi NPs) by a solid-state grinding method. Byusing sodium borohydride and bismuth dodecanethiolate, crystallinebismuth nanoparticles are synthesized in a solvent-free environmentat room temperature (24 \& PLUSMN; 4 \& DEG;C). Bi NPs are tested for catalyticactivity by reducing 4-nitrophenol (4-NP) to 4-aminophenol (4-AP)with an excess of NaBH4. Dodecanethiol-capped bismuth nanoparticlesexhibit an efficient reduction of 4-NP to 4-AP within 12 min. Additionally,these nanoparticles remain catalytically active for up to three cycles.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c01694}, author = {Singh, Dinesh and Poddar, Pankaj} } @article {48764, title = {Scalable synthesis of silacyclohexanones and ready access to silicon building blocks}, journal = {Organic Letters}, volume = {25}, year = {2023}, month = {SEP }, pages = {6881-6885}, type = {Article}, abstract = {

A simple and efficient two-step method for the synthesis of silacyclohexanones starting from bis(bromoethylsilanes) using TosMIC is presented. The prepared silacyclohexanones were transformed to nine different heterocycles with silicon incorporation. In addition, the developed methodology was used for the synthesis of a sila analogue of the HDAC6 inhibitor tubastatin A.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.3c02561}, author = {Ramesh, Eagala and Nandawadekar, Laxman D. and Rao, Ramana Sreenivasa and Reddy, D. Srinivasa} } @article {48780, title = {Seasonal dynamics and tree foliar habit drive the rhizobacterial diversity in congeneric Ficus species from Northern Western Ghats, India}, journal = {Rhizosphere}, volume = {28}, year = {2023}, month = {DEC}, pages = {100790}, type = {Article}, abstract = {

Tree species, annual climatic cycle, and geochemical properties influence the tree rhizospheric microbiome. However, its understanding in the moist deciduous forest of Northern Western Ghats (NWG), India, is limited. Moreover, the effects of foliar habits of trees and seasonal variations on rhizobacterial communities across congeneric tree species are unexplored. Hence, we employed high throughput 16 S rRNA gene sequencing to examine the effects of foliar habits of congeneric tree species and seasonal influences on the rhizobacterial community. For this study, rhizospheric soil from Ficus arnottiana (deciduous) and Ficus talboti (evergreen) trees from NWG, India, was collected during three seasons (summer, monsoon, and winter) and subjected to high throughput sequencing. A total of 3031 amplicon sequence variants (ASV) were observed, of which 1257 and 1181 ASV were unique to F. arnottiana and F. talboti, respectively, and 593 ASV were common to both species. The phyla Actinobacteria, Proteobacteria, Acidobacteria, and Chloroflexi were ubiquitous and contributed \>90\% to the rhizobacterial community. Some bacterial phyla were exclusively associated with either of the tree species and seasons. Different bacterial phyla performed similar functions in different seasons, indicating their functional redundancy and emphasizing their resilience and adaptability across seasons. It was observed that seasonal dynamics mainly drove the rhizobacterial diversity; however, it was also influenced by the foliar habits of the trees and geochemical properties. The study enhances the understanding of congeneric tree microbiomes and offers valuable insights into their potential applications through microbiome engineering.

}, keywords = {Amplicon variants, Bacterial diversity, Ficus arnottiana, Ficus talboti, Rhizosphere}, doi = {10.1016/j.rhisph.2023.100790}, author = {Salunkhe, Vaishnavi H. and Kunte, Pooja S. and Paul, Dhiraj and Kasodekar, Amol K. and Kadoo, Narendra Y.} } @article {48273, title = {Selective and generic photocatalytic oxidation of alcohol with Pd-TiO2 thin films: butanols to butanal/butanone with different morphologies of Pd and 0.5 theta(Pt)-Pd counterparts}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {MAR}, type = {Article}, abstract = {

The present study reports on the photocatalytic oxidation of butanols to butanal/butanone using thin film form of facet-dependent nano-Pd supported on commercial TiO2 under one-sun condition and demonstrates the generic nature. Pd-nanocube (Pd-NC(100)), Pd-truncated octahedron (Pd-TO (100) and (111)), polycrystalline (Pd-PC), and their counterparts with half-a-monolayer Pt-coated on Pd (0.5 theta(Pt)-Pd)) have been used as co-catalyst. A potentially scalable thin film form of Pd/TiO2 photocatalyst, prepared by drop-casting method, has been employed to study oxidation of n-butanol, 2-butanol, and iso-butanol to corresponding aldehyde/ketone. 100\% selectivity is demonstrated to respective aldehyde/ketone with any catalyst used in the present study with varying degree of butanols conversion by NMR. 0.5 theta(Pt)-Pd-TO/TiO2 shows the highest conversion of 2-butanol to butanone (13.6\% in 4 h). Continuous 10 h of reaction with the most active 0.5 theta(Pt)-Pd-TO/P25 catalyst demonstrates 31\% conversion of 2-butanol to butanone, and catalyst recyclability has been demonstrated. The present protocol can be scalable to large scales to maximize the conversion in direct sunlight. Due to its generic nature, the current method can also be applied to many other alcohols and substrate molecules.

}, keywords = {energy conversion, Nanomaterials, Oxidation, Photocatalysis, Sustainability}, issn = {1861-4728}, doi = {10.1002/asia.202201239}, author = {Salgaonkar, Kranti N. and Kale, Sandip R. and Nalajala, Naresh and Mansuri, Sayana and Gopinath, Chinnakonda S.} } @article {48674, title = {Selective and robust Ru catalyst for the aqueous phase aerobic oxidation of furfural to 2-furoic acid}, journal = {ACS Applied Materials \& Interfaces}, volume = {15}, year = {2023}, month = {SEP }, pages = {47004-47015}, type = {Article}, abstract = {

Synthesis of 2-furoic acid (FURA) via oxidation of furfural (FAL) is vital in evolving the biorefinery concept as FURA has numerous important applications in the pharmaceuticals and optic areas. Though few works on this reaction are done, those are marred with shortcomings such as the nonrecyclability of catalyst, dilute solutions, lower yields, or use of H2O2 as an oxidizing agent. Herein, we report catalytic aqueous phase oxidation of FAL to FURA using molecular oxygen as an oxidizing agent. For the synthesis of FURA, various catalysts with a combination of metal (Pt, Pd, Ru) and supports (carbon, Al2O3) were prepared and characterized by multiple techniques (X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Brunauer-Emmett-Teller (BET), X-ray photoelectron spectroscopy (XPS)). Oxidation of FAL carried out over 5 wt \% Ru/C catalyst in the presence of Na2CO3 yielded 83\% of FURA at 120 degrees C and 15 bar oxygen pressure. The catalyst could show potential for reusability as similar activity was achieved after subjecting the spent catalyst to mild reduction treatment (150 degrees C). Studies on the effects of temperature, pressure, and time could help accomplish enhanced yields of FURA. Additionally, learning about the effect of base (weak/strong/solid) revealed that due to the weak basicity of Na2CO3, higher yields could be achieved by maintaining approximately a pH of 11, which is optimal for suppressing side reactions. Under the given conditions, FURA is stable (\>90\%) and also adsorption studies divulge that it is immediately removed from the catalyst surface, and hence higher yields could be achieved in our catalytic system. Using the initial rates methodology, an activation energy of 21.91 kJ mol(-1) was derived and also a high turn over frequency (TOF) (85.9 h(-1)) was observed under optimized conditions.

}, keywords = {2-furoic acid (FURA), Biomass conversion, furfural (FAL), heterogeneous catalyst, Oxidation, ruthenium on carbon etc}, issn = {1944-8244}, doi = {10.1021/acsami.3c09965}, author = {Lokhande, Priya and Dhepe, Paresh L.} } @article {48466, title = {Selective one pot multicomponent green synthesis of 3-[(aryl)(arylthio)methyl]-1H-indole derivatives utilizing enhanced Lewis acidic sites of Surfactant-assisted ZnO catalyst}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {MAY}, pages = {e202300736}, type = {Article}, abstract = {

Five different ZnO nanocrystallites (ZnO-1 to ZnO-5) were successfully synthesized by a surfactant-assisted hydrothermal technique using various surfactants. All the ZnO nanocrystallites are thoroughly characterized by XRD, IR, UV-DRS spectroscopy and FESEM-EDS analysis. Among the synthesized ZnO nanocrystallites, the CTAB-assisted synthesized ZnO-4 exhibited a fine disc-like morphology with a minimum crystallite size (23 nm). Subsequent to reaction optimization studies, the ZnO-4 is utilized as an efficient catalyst for one pot-three component green synthesis of 3-[(aryl)(arylthio)methyl]-1H-indoles (4a-4p) via. condensation of a variety of indoles, aromatic aldehydes and aromatic thiols at room temperature in water. The single-crystal X-ray structure of 3-[(phenyl)(phenylthio)methyl]-1H-indole (4a) is also been reported (CCDC 2170437). The Lewis acidic property of the catalyst-supported probable mechanism is well proposed subsequent to pyridine-IR studies of the ZnO catalysts. Indeed, CTAB-assisted synthesized ZnO-4 was found to be most effective and selective Lewis acid catalyst for the synthesis of a variety of 3-[(aryl)(arylthio)methyl]-1H-indole derivatives in water at ambient temperature with merits like higher yields, lower reaction time, catalyst recovery and reuse.

}, keywords = {3-[(aryl)(arylthio)methyl]-1H-indole, green synthesis, Lewis acidity, Single crystal, ZnO}, issn = {2365-6549}, doi = {10.1002/slct.202300736}, author = {Sangale, Vijay B. B. and Jagtap, Rohidas M. M. and Mali, Bhupendra P. P. and Gonnade, Rajesh G. G. and Pardeshi, Satish K. K.} } @article {48768, title = {Selective oxidation of 5-HMF to DFF over alkali promoted Mn nanocomposite}, journal = {Applied Catalysis A-General}, volume = {659}, year = {2023}, month = {JUN}, pages = {119180}, type = {Article}, abstract = {

Various compositions of Cs promoted Mn catalysts were synthesized and investigated for selective oxidation of 5HMF to DFF, among which Mn-Cs(80:20) was found to be most efficient giving 91 \% conversion of 5-HMF and 99 \% selectivity to DFF. Detail characterization like N2-sorption, BET surface area, TG-DTA, XRD, XPS, FE-SEM-EDX, TEM, HR-TEM, CO2-TPD, H2-TPR, O2-TPO, FTIR, Raman spectra and CH3OH-IR were done to establish structureactivity correlation. Enhanced surface area, porosity, thermal stability, dual morphologies were observed due to inclusion of Cs in Mn lattice domain which further enhanced the crystallinity, and oxygen diffusion on the surface. Mixed morphologies comprising nanoparticles (4-5 nm) and nanocubes (50-60 nm) were observed with enhanced redox potential and reduced work function due to weakening of Mn-O bonds. Significant increase in the basicity of catalyst, interfacial redox properties and lattice oxygen led to highly efficient oxidation of 5-HMF to DFF via Mars-van Krevelen mechanism at relatively milder conditions i.e. T = 90 degrees C and PO2= 200 psig. The catalyst was easily recyclable up to 7 times with minor loss in activity which was regenerated heat treatment protocol.

}, keywords = {5-HMF, Biomass, heterogeneous catalyst, polyurethane, Selective oxidation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2023.119180}, author = {Solanki, Bhanupratap Singh and Roh, Hyun-Seog and V. Rode, Chandrashekhar} } @article {48994, title = {Self-assembled amino acid microstructures as biocompatible physically unclonable functions (BPUFs) for authentication of therapeutically relevant hydrogels}, journal = {Macromolecular Bioscience }, volume = {23}, year = {2023}, month = {NOV}, type = {Article}, abstract = {

Counterfeited biomedical products result in significant economic losses and pose a public health hazard for over a million people yearly. Hydrogels, a class of biomedical products, are being investigated as alternatives to conventional biomedical products and are equally susceptible to counterfeiting. Here, a biocompatible, physically unclonable function (BPUF) to verify the authenticity of therapeutically relevant hydrogels are developed. The principle of BPUF relies on the self-assembly of tyrosine into fibril-like structures which are incorporated into therapeutically relevant hydrogels resulting in their random dispersion. This unclonable arrangement leads to distinctive optical micrographs captured using an optical microscope. These optical micrographs are transformed into a unique security code through cryptographic techniques which are then used to authenticate the hydrogel. The temporal stability of the BPUFs are demonstrated and additionally, exploit the dissolution propensity of the structures upon exposure to an adulterant to identify the tampering of the hydrogel. Finally, a platform to demonstrate the translational potential of this technology in validating and detecting tampering of therapeutically relevant hydrogels is developed. The potential of BPUFs to combat hydrogel counterfeiting is exemplified by its simplicity in production, ease of use, biocompatibility, and cost-effectiveness.

}, keywords = {anti-counterfeiting, hydrogels, physically unclonable functions, Self-assembly, translational}, issn = {1616-5187}, doi = {10.1002/mabi.202300091}, author = {Akavaram, Vishwas and Kumar, Kush and Sriram, Shreya and Narra, Saisrinath and Kumawat, Akshant and Meena, Santosh Kumar and Pushpavanam, Karthik} } @article {48689, title = {Self-powered wearable breath sensor cum nanogenerator using AuNR-rGO-PVDF nanocomposite}, journal = {IEEE Sensors Journal}, volume = {23}, year = {2023}, month = {APR }, pages = {6473-6480}, type = {Article}, abstract = {

Breathing is the most important function of living being. It is well known that breath contains 90\% humidity along with various gases and volatile organic compounds (VOCs). These gases are released during various metabolic activities in the body. These gases present in the breath can act as biomarkers to showcase healthiness or abnormalities in the body. Therefore, breath sensors are the need of time to detect diseases at early stages and in noninvasive way. Herein, we report, simple breath sensor using Au nanorods (AuNRs) and its nanocomposite with reduced graphene oxide (rGO) and polyvinylidene fluoride (PVDF). The nanocomposites system is designed in such a way that each component has its advantages for breath sensing. Here, AuNR being a good humidity sensitive material detects the breath efficiently. The ss phased PVDF being a very good ferroelectric material, contributes for voltage generation during sensing and enables the device to be self powered. The highly conducting rGO increases the sensitivity and voltage generation by facilitating the electron transport in the nanocomposite system. The nanocomposite was optimized with respect to PVDF, rGO and Au concentration. The as-synthesized materials were characterized by physiochemical characterization techniques such as field emission scanning electron microscopy (FESEM), X-ray diffraction analysis (XRD), UV-Visible spectroscopy, Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). The ss phase formation of the PVDF was confirmed from the XRD peak at 20.41 degrees. SEM results revealed that AuNR have length 15-20 nm and aspect ratio similar to 3-4. Breath sensing tests were carried out for as synthesized nanocomposite material. The nanocomposite exhibited high sensitivity towards breath and generated the voltage of similar to 0.7 V within 0.8 s.

}, keywords = {Au nanorods (AuNRs), breath analyzer, breath sensor, nanogenerator}, issn = {1530-437X}, doi = {10.1109/JSEN.2023.3240744}, author = {Bang, Amruta D. and Ghalawat, Monika and Poddar, Pankaj and Kulkarni, Sulabha K. and Adhyapak, Parag V.} } @article {48305, title = {Settling and spreading behaviour of particle clusters in quiescent liquids in confined vessels}, journal = {Particuology}, volume = {83}, year = {2023}, month = {DEC}, pages = {91-100}, type = {Article}, abstract = {

Here we report experiments on particle cluster settling at high Reynolds number in quiescent liquid contained in a vessel. The particles were observed to spread at the vessel bottom surface in a nearcircular annular shape after settling irrespective of the shape of the vessel cross-section and particle shape, size, and types. Effect of different parameters such as mass, type and aspect ratio of the particles, height, and viscosity of liquid was investigated on spreading behaviour. Formation of the hemispherical bottom cap of the cluster that bounces upon hitting the vessel bottom surface was found to be responsible for the final circular annular shape of the settled structure. Particle leakage from the cluster was seen in the form of a tail. In the liquid having viscosity beyond 100 cP, cluster breakage was observed that resulted in hindered settling and asymmetric shapes of finally settled particles. The observations are useful to understand the overall area over which settling and spreading of such clusters can be observed. (c) 2023 Published by Elsevier B.V. on behalf of Chinese Society of Particuology and Institute of Process Engineering, Chinese Academy of Sciences.

}, keywords = {Particle cluster, Settling, spreading, Temporal evolution}, issn = {1674-2001}, doi = {10.1016/j.partic.2023.01.019}, author = {Pal, Sayan and Kulkarni, Amol A.} } @article {49000, title = {Shape-controlled MoO3/MnO x nanocatalyst for the selective synthesis of 2-phenylquinoxaline drug motifs}, journal = {ACS Applied Nano Materials}, volume = {6}, year = {2023}, month = {DEC }, pages = {23442-23453}, type = {Article}, abstract = {

We have developed a highly effective shape-controlled MoO3/MnOx nanocatalyst for the selective synthesis of 2-phenylquinoxaline drug motifs at room temperature without any external oxidant. Electron microscopy images reveal that the MnOx material contains rod-shaped particles (length: 500-1000 nm and width: 150-200 nm) and the MoO3 species are uniformly dispersed in the MoO3/MnOx material. The MoO3/MnOx nanocatalyst calcined at 500 degrees C (MoO3/MnOx-5) contains abundant strong acid sites and an optimum ratio of Mn4+/Mn3+, which are responsible for the C-N cross-coupling reaction between 2-phenylethylamine and o-phenylenediamine, giving higher yields (\>96\%) of 2-phenylquinoxaline at mild conditions. The broad scope of this catalytic strategy at room temperature and without an external oxidant was confirmed by achieving \>90\% yields of functional 2-phenylquinoxalines from C-N cross-coupling of various o-phenylenediamines and 2-phenylethylamines. The outstanding reusability efficiency of the MoO3/MnOx-5 nanocatalyst up to five cycles without the need for a regeneration step as well as the effective scalability highlighted the practicability of the MoO3/MnOx-based catalytic protocol for carbon-heteroatom coupling reactions at room temperature and without an external oxidant. Using computational studies, the possible reasons for the selective synthesis of 2-phenylquinoxaline over the MoO3/MnOx-5 nanocatalyst were elucidated.

}, keywords = {cascade C-N cross-coupling, DFT studies, room temperature andopen air, shape-controlled MoO3/MnOx nanocatalyst, structure-activity correlation}, doi = {10.1021/acsanm.3c04820}, author = {Singh, Nittan and Putla, Suresh Babu and Pratap Singh, Chandrodai and Kalbande, Pavan Narayan and Choudhary, Priyanka and Krishnamurty, Sailaja and Krishnan, Venkata and Bhatte, Kushal and Sudarsanam, Putla} } @article {48492, title = {Shapeshifter TDP-43: molecular mechanism of structural polymorphism, aggregation, phase separation and their modulators}, journal = {Biophysical Chemistry}, volume = {295}, year = {2023}, month = {APR}, pages = {106972}, type = {Review}, abstract = {

TDP-43 is a nucleic acid-binding protein that performs physiologically essential functions and is known to un-dergo phase separation and aggregation during stress. Initial observations have shown that TDP-43 forms het-erogeneous assemblies, including monomer, dimer, oligomers, aggregates, phase-separated assemblies, etc. However, the significance of each assembly of TDP-43 concerning its function, phase separation, and aggregation is poorly known. Furthermore, how different assemblies of TDP-43 are related to each other is unclear. In this review, we focus on the various assemblies of TDP-43 and discuss the plausible origin of the structural het-erogeneity of TDP-43. TDP-43 is involved in multiple physiological processes like phase separation, aggregation, prion-like seeding, and performing physiological functions. However, the molecular mechanism behind the physiological process performed by TDP-43 is not well understood. The current review discusses the plausible molecular mechanism of phase separation, aggregation, and prion-like propagation of TDP-43.

}, keywords = {Amyloid versus non-amyloid, Coacervation, Environmental conditions, Prion-like seeding, Structural heterogeneity, Thermodynamic and kinetic mechanism}, issn = {0301-4622}, doi = {10.1016/j.bpc.2023.106972}, author = {Doke, Abhilasha A. and Jha, Santosh Kumar} } @article {48291, title = {Short review on recent advances in porous adsorbents for separation of oxygen from atmospheric air}, journal = {Asia-Pacific Journal of Chemical Engineering}, volume = {18}, year = {2023}, month = {MAR}, type = {Review}, abstract = {

Pure oxygen demand is continuously increasing worldwide due to wide applications including medical and industrial. Pressure swing adsorption (PSA) is one of the promising techniques to separate O-2 from atmospheric air. The porous solid adsorbent is a key element in the PSA to trap nitrogen (N-2) and release O-2. Several adsorbents including low silica X (LSX), zeolite 5A, ion-exchanged LSX (Li-LSX, AgLi-LSX, Ca-LSX), Engelhard titanosilicate (Na-ETS-10, Ag-ETS-10), and SSZ-13 have been investigated for adsorption of N-2 from the air. This review article is a summarization of recent research work published on O-2 separation using different porous adsorbents via PSA. This review also emphasizes on the best porous sorbent for purification of O-2 by sorption of N-2 and Ar. The adsorption capacities with experimental conditions are also rigorously discussed. The review also proposed future trends and prospects for O-2 separation. This review will be helpful to choose remarkable adsorbent for the generation pure O-2.

}, keywords = {13X zeolite, adsorbent, ETS-10, oxygen, Separation}, issn = {1932-2135}, doi = {10.1002/apj.2896}, author = {Shrotri, Aadesh R. R. and Niphadkar, Prashant S. S. and Bokade, Vijay V. V. and Utgikar, Vivek P. P. and Nandanwar, Sachin U. U.} } @article {48738, title = {Six-membered NHC stabilized monomeric zinc complexes}, journal = {European Journal of Inorganic Chemistry}, volume = {26}, year = {2023}, month = {JUL}, pages = {e202300167}, type = {Article}, abstract = {

This paper describes the rare use of a 6-membered saturated N-heterocyclic carbene (NHC) known as 1,3-di(2,6-diisopropylphenyl) tetrahydropyrimidine-2-ylidene (abbreviated as 6-SI-Dipp) as a ligand in zinc chemistry. We report on the investigation of the reactions between 6-SI-Dipp and ZnX2, which resulted in a range of new monomeric 6-SIDipp center dot ZnX2 complexes (X=Et (1), Cl (2), Br (3), and I (4)). We also prepared a new NHC zinc complex where the two substituents of the zinc atom are different, 6-SIDipp center dot Zn(Et)Br (7) through the reaction of the proligand [6-SIDippH]Br with ZnEt2. We have observed that the reactions of complex 1 with sulfur and HBpin led to the removal of the ZnEt2 moiety, resulting in the formation of a C=S double bond and a B H activation product, respectively. Lastly, the reaction of 1 with five-membered NHCs led to the exchange of carbene and the formation of either 5-IDipp center dot ZnEt2 (8) or 5-SIDipp center dot ZnEt2 (9).

}, keywords = {Lewis adduct, NHC, X-ray diffraction, zinc}, issn = {1434-1948}, doi = {10.1002/ejic.202300167}, author = {Gour, Kritika and Kundu, Gargi and Dash, Soumya Ranjan and Vanka, Kumar and Tothadi, Srinu and Sen, Sakya S.} } @article {48297, title = {Size does matter: antibacterial activities and cytotoxic evaluation of polymorphic CuO nanostructures}, journal = {Journal of Materials Science}, volume = {58}, year = {2023}, month = {FEB}, pages = {2782-2800}, type = {Article}, abstract = {

Nanostructured materials play a significant role in antibacterial activities. However, understanding the geometrical influence at the nanoscale in terms of size- and shape-correlated physical properties on antibacterial activities is very essential. Herein, we report the antibacterial influence of various copper oxide nanostructures (CuO NS) such as nanoparticles (NPs) (\< 10 nm), nanospheres (NSs) (50-100 nm), and porous nanoflowers (NFs) (asymptotic to 350 nm). The XRD confirmed the crystalline nature of CuO NPs without impurities. The antibacterial activities of CuO NPs were investigated by the microplate dilution method and confocal laser scanning microscopic (CLSM) imaging. NPs having a diameter less than 10 nm exhibited significant damage to the bacterial cell membrane than NSs and NFs. Interestingly, NPs illustrated relatively low antibacterial activity against Gram-negative bacteria (Pseudomonas aeruginosa and Acinetobacter baumannii) than Gram-positive bacteria (Staphylococcus aureus and Staphylococcus epidermidis). Acinetobacter baumannii was found to be more susceptible to the NPs than other bacterial strains, attributed to its increased membrane permeability. The death phase was observed at a concentration of 15.6 mu g mL(-1) and 3.9 mu g mL(-1) for P. aeruginosa and A. baumannii, respectively, when treated with CuO NP after the 8 h of incubation. Similarly, for S. aureus and S. epidermidis, the death phase was observed at the concentration of 31.2 mu g mL(-1) and 250 mu g mL(-1), respectively. Furthermore, as the cell cytotoxicity measurements against human fibroblast L9239 cells revealed that CuO NPs were safe. The morphological and cell viability assay demonstrated 100\% cell survival, when treated with NPs and NSs (5, 10, and 25 mu g mL(-1)), signifies no cytotoxicity. Therefore, CuO nanoparticles can be used for clinical and therapeutic applications.

}, issn = {0022-2461}, doi = {10.1007/s10853-023-08157-4}, author = {Desai, Dnyanada G. and Navale, Govinda R. and Late, Dattatray J. and Dharne, Mahesh S. and Walke, Pravin S.} } @article {48831, title = {Solvation structure and dynamics of a small ion in an organic electrolyte}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {440}, year = {2023}, month = {JUN}, pages = {114666}, type = {Article}, abstract = {

Organic carbonates are commonly used as electrolytes in commercial lithium-ion batteries. A detailed interpretation of the solvation structure and dynamics of the electrolyte around ions is necessary to understand the charge/discharge process in batteries. This work combines infrared absorption spectroscopy with quantum chemical calculations and molecular dynamics simulations to decipher the solvation structure of propylene carbonate, a cyclic carbonate, around the dissolved thiocyanate ion. Two dimensional infrared spectroscopy and polarization-selective pump probe spectroscopies have been utilized to extract the timescales of solvent fluctuation and the solute reorientational dynamics. The similarity in the slow timescales for the solute and the solvent dynamics signifies that similar processes control both dynamics.

}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2023.114666}, author = {Kore, Shivshankar and Sahoo, Rudhi Ranjan and Santra, Binit and Sarkar, Archishman and Chowdhury, Tubai and Deshmukh, Samadhan H. and Hazarika, Sulagna and Chatterjee, Srijan and Bagchi, Sayan} } @article {48322, title = {Spatio-temporal variation of the microbiome and resistome repertoire along an anthropogenically dynamic segment of the Ganges River, India}, journal = {Science of the Total Environment}, volume = {872}, year = {2023}, month = {MAY}, pages = {162125}, type = {Article}, abstract = {

Aquatic ecosystems are regarded as a hub of antibiotic and metal resistance genes. River Ganges is a unique riverine system in India with socio-cultural and economic significance. However, it remains underexplored for its microbiome and associated resistomes along its anthropogenically impacted course. The present study utilized a nanopore sequenc-ing approach to depict the microbial community structure in the sediments of the river Ganges harboring antibiotic and metal resistance genes (A/MRGs) in lower stretches known for anthropogenic impact. Comprehensive microbiome analyses revealed resistance genes against 23 different types of metals and 28 classes of antibiotics. The most dominant ARG category was multidrug resistance, while the most prevalent MRGs conferred resistance against copper and zinc. Seasonal differences dismally affected the microbiota of the Ganges. However, resistance genes for fosmidomycin and tetracycline varied with season ANOVA, p \< 0.05. Interestingly, 333 and 334 ARG subtypes were observed at all the locations in pre-monsoon and post-monsoon, respectively. The taxa associated with the dominant ARGs and MRGs were Pseudomonas and Burkholderia, which are important nosocomial pathogens. A substantial phage diversity for pathogenic and putrefying bacteria at all locations attracts attention for its use to tackle the dissemination of antibiotic and metal-resistant bacteria. This study suggests the accumulation of antibiotics and metals as the driving force for the emergence of resistance genes and the affiliated bacteria trafficking them. The present metagenomic as-sessment highlights the need for comprehensive, long-term biological and physicochemical monitoring and mitigation strategies toward the contaminants associated with ARGs and MRGs in this nationally important river.

}, keywords = {Antibiotics (ARGs), Bacteriophages, Heavy metals (MRGs), Metagenomics, Microbiome, River Ganges}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2023.162125}, author = {Samson, Rachel and Rajput, Vinay and Yadav, Rakeshkumar and Shah, Manan and Dastager, Syed and Khairnar, Krishna and Dharne, Mahesh} } @article {48452, title = {Speed breeding opportunities and challenges for crop improvement}, journal = {Journal of Plant Growth Regulation}, volume = {42}, year = {2023}, month = {JAN}, pages = {46-59}, type = {Article}, abstract = {

Crop improvement in light of the rapidly changing climate and the increasing human population continues to be one of the primary concerns for researchers across the globe. The rate at which current crop improvement programs are progressing is essentially inadequate to meet the food demand. There is an urgent need for redesigning the crops for climate resilience and sustainable yield and nutrition. The rate of crop improvement is largely impeded owing to the long generation time taken by crop plants during the breeding process. As a solution in this direction, speed breeding is now being practiced at a large scale to reduce generation time to accommodate multiple generations of crops per year. To enhance the efficiency of breeding, researchers are now adopting an integrated approach where speed breeding is used along with modern plant breeding and genetic engineering technologies. In the present review, we have summarized the technological aspects, opportunities, and limitations associated with speed breeding. The application of speed breeding such as mapping population development, haplotype-based breeding, transgenic breeding, and genome-edited line advancement has also been discussed. Speed breeding is a promising technology that expedites the goals of food and industrial crop improvement by reducing the breeding cycles for establishing nutritional security and sustainable agriculture.

}, keywords = {Genome editing, Genomic selection, Haplotype breeding, Speed breeding, Transgenic breeding}, issn = {0721-7595}, doi = {10.1007/s00344-021-10551-8}, author = {Sharma, Shivani and Kumar, Amit and Dhakte, Priyanka and Raturi, Gaurav and Vishwakarma, Gautam and Barbadikar, Kalyani M. and Das, B. K. and Shivaraj, S. M. and Sonah, Humira and Deshmukh, Rupesh} } @article {48965, title = {Squarate-tethered enantiomeric Imido-Pd(II) cages for recognition and separation of chiral organic molecules}, journal = {Inorganic Chemistry }, volume = {62}, year = {2023}, month = {NOV }, pages = {19375-19381}, type = {Article}, abstract = {

Chiral coordination cages have emerged as an efficient platform for enantioselective processes via host-guest interactions. Here, we report an enantiomeric pair of tetrahedral cages of formula [(Pd-3[PO(N(*CH(CH3)Ph)(3)])(4)(C4O4)(6)] supported by chiral tris(imido)phosphate trianions and squarate (C4O4)(2-) linkers. These cages exhibit unusual coordination isomerism for Pd(II)-linker bonds compared with the other Pd(II) cages of this family. Further, they were employed for the recognition and separation of small chiral molecules containing various functionalities. High enantioselectivities of 67 and 41 were found in the case of R-4-hydroxydihydrofuran-2(3H)-one and S-epichlorohydrin, recognized by the R-isomer of the cage. Chiral separation studies showed remarkable enantiomeric excess values of 93 and 85\% for S-epichlorohydrin and R-4-benzyl-2-oxazolidinone, respectively, from their racemic mixtures. These studies showcase the potential of coordination cages for enantioselective applications.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.3c03105}, author = {Jose, Cavya and Sarkar, Meghamala and Rajasekar, Prabhakaran and Tewari, Tanuja and Boomishankar, Ramamoorthy} } @article {48941, title = {Steric and electronic effect in unsymmetrical squaraine dyes for dye-sensitized solar cells}, journal = {Journal of physical chemistry C }, volume = {127}, year = {2023}, month = {NOV}, pages = {22473-22488}, type = {Journal Article}, abstract = {

Functionalizing the light harvesting sensitizers with additional electron-donating or -withdrawing groups is a potential approach to modulate the photophysical and electrochemical properties which in-turn optimizes the driving force associated with the charge injection and dye-regeneration processes at the dye-TiO2/electrolyte interface and the photovoltaic device performance in dye-sensitized solar cells (DSSCs). Furthermore, modulated electronic levels of the dyes provide an opportunity to reduce the overpotential associated with the dye-regeneration process and make the dye-TiO2 interface compatible with various electrolytes. Furthermore, an in-built steric feature by means of introducing linear/branched alkyl groups in the sensitizer is important in controlling the aggregation of dyes on the TiO2 surface. Hence, to integrate both steric and electronic properties, a series of alkyl group-wrapped unsymmetrical squaraine dyes (SQ-X) with electron-donating and -withdrawing groups have been designed, synthesized, and utilized for DSSC device fabrication. These dyes are functionalized with alkyl groups at both sp(3)-C and N-atoms of the indoline donor moiety at the nonanchoring side to have a similar steric feature. Photophysical and electrochemical studies revealed that the HOMO and LUMO energy levels of the SQ-X series of dyes have been modulated systematically with sufficient driving forces for both charge injection and dye-regeneration processes with iodolyte (I-/I-3(-)) electrolyte. In the presence of electron-donating groups in SQ-X (where X = -NPh2 and -OMe), the HOMO energy levels are less positive than SQ-H, whereas the presence of electron-withdrawing groups such as -CO2Me, -CN, and -NO2 pushed the HOMO energy levels toward more positive potentials. Enhanced photovoltaic performances have been obtained for the dyes containing electron-donating groups, where the dye with the -NPh2 group showed a maximum of eta 7.03\% (V-OC 708 mV, J(SC) 13.16 mA cm(-2), and ff 78\%). The dye with the strong electron-withdrawing group -NO2 showed an efficiency of 1.49\% (V-OC = 634 mV, J(SC) = 3.13 mA cm(-2), and ff 75\%). As the dyes with the electron-withdrawing group possess deep positive HOMO energy levels, the DSSC device characterization has been investigated with the Cu+/2+ redox shuttle. The reduced device performance of electron-withdrawing-group-containing dyes is due to the unfavored charge distribution in the LUMO compared to the presence of electron-donating-group-containing dyes, and it was supported by the difference in the charge injection efficiency.

}, keywords = {cobalt, Donor, Dynamics, Organic dyes}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.3c05222}, author = {Nawghare, Indrajeet S. and Singh, Ambarish Kumar and Maibam, Ashakiran and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {48477, title = {Strategies and practical approaches for stable and high energy density sodium-ion battery: a step closer to commercialization}, journal = {Materials Today Sustainability}, volume = {22}, year = {2023}, month = {JUN}, pages = {100385}, type = {Article}, abstract = {

Sodium-ion batteries (SIBs) are reckoned as a potential alternative to Li-ion batteries (LIBs). Currently, the limited supply of precursors and the cost of LIBs have regenerated research and development interest in SIBs. Due to differences in the chemistry of lithium (Li) and sodium (Na), optimized methods for LIBs cannot be blindly applied to develop SIBs. Along with the judicial selection of electrode materials, electrolytes, and interfaces are very crucial for safe, high-power, and long-lasting batteries. The initial part of this review deals with the challenges faced in commercializing SIB full cells. Subsequently, the strategies to improve the energy density of SIB full cells through electrode modifications and electrolyte engineering are described in detail. This review comprehensively represents notable insights into the large-scale commercialization of potential sodium-ion batteries in the full cell.(c) 2023 Elsevier Ltd. All rights reserved.

}, keywords = {Cathode additives, Electrolyte additives, Na compensation, Self -sacri ficial salts, Sodium -ion battery}, issn = {2589-2347}, doi = {10.1016/j.mtsust.2023.100385}, author = {Yadav, P. and Patrike, A. and Wasnik, K. and Shelke, V. and Shelke, M.} } @article {48984, title = {Sulfonated zinc phthalocyanine coating as an efficient and ecofriendly corrosion inhibitor for copper surfaces: an in silico led design and its experimental validation}, journal = {Langmuir}, volume = {39}, year = {2023}, month = {NOV }, pages = {17295-17307}, type = {Article}, abstract = {

The current study highlights the successful integration of an in silico design with experimental validation to create a highly effective corrosion inhibitor for copper (Cu) surfaces. The synthesized sulfonated zinc phthalocyanine (Zn-Pc) is electrochemically characterized and demonstrates an impressive 97\% inhibition efficiency, comparable to the widely used industrial corrosion inhibitor, BTA, for Cu surfaces. The corrosion inhibition is comprehensively analyzed through potentiodynamic polarization and impedance spectroscopy techniques, supported by their respective equivalent circuits. Furthermore, the sample undergoes thorough characterization using scanning electron microscopy, energy-dispersive X-ray analysis, X-ray photoelectron spectroscopy, contact angle measurements, and atomic force microscopy. Density functional theory calculations reveal that sulfonated Zn-Pc exhibits the highest interaction energy, underscoring its exceptional inhibition properties. These results open possibilities for utilizing computational methods to design and optimize corrosion inhibitors for protection of Cu surfaces.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c02393}, author = {Dekshinamoorthy, Amuthan and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Khatri, Praveen K. and Jain, Suman Lata and Ray, Anjan and Vijayaraghavan, Saranyan} } @article {48776, title = {Surface functionalization of inorganic nanoparticles with ligands: a necessary step for their utility}, journal = {Chemical Society Reviews}, volume = {52}, year = {2023}, month = {APR}, pages = {2573-2595}, type = {Review}, abstract = {

The importance of organic ligands in protecting inorganic nanoparticles and thus imparting the needed stabilization as colloidal dispersions was realised many years ago. Currently, the rational preparation of such nanoparticles with designed organic molecules/ligands resulting in the formation of functional nanoparticles (FNPs) that are tuned for a specific application is an area of immense research interest. The preparation of such FNPs for a desired application requires a clear understanding of the interactions at the nanoparticle (NP)-ligand and ligand-solvent interfaces, and demands a deep appreciation of the surface science and coordination chemistry. In this tutorial review, we briefly explore the evolution of surface-ligand chemistry and inform the readers that, apart from protecting the surface, ligands can modulate the physico-chemical properties of the underlying inorganic NPs as well. This review further presents the design principles for the rational preparation of such FNPs, where one or more ligand shells can be added to the nanoparticle surface, thereby improving the adaptability and amenability of the NP exterior towards the environment in which they are present, as required for a specific application.

}, issn = {0306-0012}, doi = {10.1039/d1cs00876e}, author = {Bhattacharjee, Kaustav and Prasad, Bhagavatula L. V.} } @article {48463, title = {Surface-induced demixing of self-assembled isomeric mixtures of citral}, journal = {Journal of Molecular Liquids}, volume = {381}, year = {2023}, month = {JUL }, pages = {121803}, type = {Article}, abstract = {

The self-assembly of organic molecules and their interactions with metal surfaces have been of considerable interest, both for developing novel functional materials and for understanding fundamental design principles of nanostructures. In this study, we investigate the solution and surface-induced self-assembly of two stereoisomers of citral molecules (geranial and neral) using atomistic molecular dynamics simulations. We demonstrate that the morphology of the aggregates in water is concentration dependent (ranging from distorted spherical to slab-like aggregates) but independent of isomer effects. The isomeric mixtures of citral indicate homogeneous mixing based on differential density maps and high values of Shannon entropy. Interestingly, surface-confinement of citral aggregates on a Cu(111) surface leads to phase segregation and demixing of the two isomers that is more apparent in the surface-bound monolayer in comparison to the adjacent layers. Positional ordering and formation of domains are observed over a series of isomeric citral mixtures with varying compositions, as indicated by high differential density and low values of Shannon entropy. Our work provides new insights into molecular self-assembly of organic molecules in nanostructures and metal-organic overlayers.(c) 2023 Elsevier B.V. All rights reserved.

}, keywords = {Citral, Isomers, Metal-organic interactions, molecular dynamics, Self-assembly, Shannon entropy}, issn = {0167-7322}, doi = {10.1016/j.molliq.2023.121803}, author = {Saraf, Deepashri and Prakash, Shikha and Pinjari, Aadil and Pujari, Bhalchandra and Sengupta, Durba} } @article {48724, title = {Sustainable and cleaner production of poly-gamma-glutamic acid (γ-PGA) biopolymer using floral waste and its anti-staling properties}, journal = {Journal of Cleaner Production}, volume = {425}, year = {2023}, month = {NOV }, pages = {138709}, type = {Article}, abstract = {

The framework of sustainable development (SD) hinges on 17 different ideals established by the United Nations. This call for SD can be addressed by the circular bio-economy concept, which not only ensures effective waste management but also encourages its valorization and repurposing, hence fostering both ecological and economic stability. One-third of the world{\textquoteright}s floral production is in jeopardy, and because there are no potential solutions for sustaining floral waste, it inevitably ends up in landfills and riverine systems, which is detrimental to the environment. Therefore, in the present study, floral waste that was destined for landfills or water bodies was productively valorized to poly gamma glutamic acid (gamma-PGA), a high value biopolymer, with a yield of 40 g/L and productivity of 1.6 g/L/h employing an L-glutamic acid (L-GA) independent feeding approach. When gamma-PGA was coated onto Vitis vinifera grapes, it exhibited excellent moisture retention, reduced microbial contamination, and preserved the grapes{\textquoteright} aesthetic characteristics and nutrient content. The weight loss study demonstrated that grapes coated with 1\% and 2\% gamma-PGA experienced significantly lower weight loss (13\% and 14\% respectively) compared to the control group (21.6\%). Moreover, a 5-min dip coating time proved to be the most effective in reducing weight loss to 12.43\%. Over a period of 14 days, the control group exhibited a remarkably high weight loss (41\%) in contrast to the treated group, which showed significantly lower weight loss (16\%). Our work is a fine example of how the circular bio-economy and waste valorization may be used to achieve the long-term objectives of sustainable development, economic stability, and food security.

}, keywords = {Bio-economy, Floral waste, L-GA independent, Poly-gamma-glutamic acid, Valorization}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2023.138709}, author = {Nair, Pranav G. and Dharne, Mahesh S.} } @article {48826, title = {Synthesis, biological evaluation and docking studies of silicon incorporated diarylpyrroles as MmpL3 inhibitors: an effective strategy towards development of potent anti-tubercular agents}, journal = {European Journal of Medicinal Chemistry}, volume = {259}, year = {2023}, month = {NOV }, pages = {115633}, type = {Article}, abstract = {

Growing global demand for new molecules to treat tuberculosis has created an urgent need to develop novel strategies to combat the menace. BM212 related compounds were found to be potent anti-TB agents and they inhibit mycolic acid transporter, MmpL3, a known potent drug target from Mycobacterium tuberculosis. In order to enhance their inhibitory potency, several silicon analogues of diarylpyrroles related to BM212 were designed, synthesized, and evaluated for anti-tubercular activities. In Alamar blue assay, most of the silicon-incorporated compounds were found to be more potent than the parent compound (BM212), against Mycobacterium tuberculosis (MIC = 1.7 \& mu;M, H37Rv). Docking results from the crystal structure of MmpL3 and silicon analogues as pharmacophore model also strongly correlate with the biological assays and suggest that the incorporation of silicon in the inhibitor scaffold could enhance their potency by stabilizing the hydrophobic residues at the binding pocket. The best docking hit, compound 12 showed an MIC of 0.1 \& mu;M against H37Rv with an acceptable in vitro ADME profile and excellent selectivity index. Overall, the present study indicates that, the designed silicon analogues, especially compound 12 could be a good inhibitor for an intrinsically flexible drug-binding pocket of MmpL3 and has potential for further development as anti-tubercular agents.

}, keywords = {antibiotic, BM212, docking studies, MmpL3 inhibitor, Silicon analogue, tuberculosis}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2023.115633}, author = {Vasudevan, N. and Motiwala, Zenia and Ramesh, Remya and Wagh, Sachin B. and Shingare, Rahul D. and Katte, Revansiddha and Anand, Amitesh and Choudhary, Sushil and Kumar, Ajay and Gokhale, Rajesh S. and Kulkarni, Kiran A. and Reddy, D. Srinivasa} } @article {48433, title = {Synthesis, characterization and post-modification of aromatic (Co)polyesters possessing pendant maleimide groups}, journal = {High Performance Polymers}, volume = {35}, year = {2023}, month = {SEP}, type = {Article}, abstract = {

A new series of (co)polyesters possessing pendent maleimide groups was synthesized by low temperature solution polycondensation of 4, 4{\textquoteright}-(5-maleimidopentane-2, 2-diyl) diphenol (BPA-MA) with isophthalic acid chloride (IPC), terephthalic acid chloride (TPC) and a mixture of TPC and IPC (50:50\ mol \%). Copolyesters were also synthesized by polycondensation of varying compositions of BPA-MA and bisphenol-A (BPA) with IPC. The chemical structures and compositions of (co)polyesters were confirmed by NMR spectroscopy. Inherent viscosity values and number-average molecular weights of (co)polyesters were in the range 0.50{\textendash}0.76\ dL/g and 17,700-32,100\ g/mol, respectively, indicating the formation of reasonably high molecular weight polymers. (Co)polyesters were readily soluble in common organic solvents and could be cast into tough, transparent and flexible films from chloroform solutions. (Co)polyesters exhibited 10\% weight loss and glass transition temperatures in the range 464{\textendash}468 and 142{\textendash}178{\textdegree}C, respectively. A representative copolyester possessing pendant maleimide groups was chemically modified\ via\ metal-free azide-maleimide 1,3-dipolar cycloaddition click reaction with two azido compounds, namely, (azidomethyl)benzene (Bz-N3) and 1-(azidomethyl)-pyrene (Py-N3) to yield corresponding modified copolyesters in a quantitative manner.

}, author = {Jadhav, Uday A. and Nagane, Samadhan S. and Wadgaonkar, Prakash P.} } @article {48832, title = {Synthesis, characterization, crystal structure, in silico and computational studies on a novel Schiff base derived from α-chlorocinnamaldehyde and 4-aminoantipyrine}, journal = {Journal of Molecular Structure}, volume = {1289}, year = {2023}, month = {OCT}, pages = {135928}, type = {Article}, abstract = {

Schiff base, 4-(((1E,2Z)-2-chloro-3-phenylallylidene)amino)-1,5-dimethyl-2-phenyl-1,2 -dihydro-3H-pyrazol-3-one (1) was synthesized by condensation reaction of 4-aminoantipyrine and \& alpha;-chlorocinnamaldehyde. The compound was characterized using Fourier-transform infrared spectroscopy (FT-IR), ultraviolet (UV)-visible spectroscopy, proton and carbon nuclear magnetic resonance spectroscopy (1H/13C NMR) and single-crystal X-ray diffraction analysis (SC-XRD). Density functional theory (DFT) was used to compute molecular parameters and also compared them with experimental data. The X-ray diffraction data revealed that the compound crys-tallizes as a monoclinic crystal system with a space group of C2/c and Z = 8, and is stabilized by C12-H12MIDLINE HORIZONTAL ELLIPSISO1, and C8-H8AMIDLINE HORIZONTAL ELLIPSISO1 intramolecular hydrogen bonds. The presence of a distinctive azomethine C = N bond length N3-C12 of 1.283(3) \& ANGS;, and 1640 cm-1 stretching vibration in the FT-IR spectrum are evidence of the formation of a Schiff base. The computational result indicates that the ionization energy (IE), and electron affinity (EA) values for the molecule are 4.025 and 2.110 eV, respectively. The positive value of EA suggests that the addition of an electron to the molecule would be an exothermic process. The evaluated energy is relatively low and is an expression of the ease of electron transfer from the highest occupied molecular orbital (HOMO) to the lowest unoccupied molecular orbital (LUMO). Hirsfeld surface map over dnorm and curvedness surface indicated the presence of 7C-7C stacking while the shape factor index suggests donor and acceptor intermolecular C-H-7C. Analysis of Hirsfeld surfaces concerning the fingerprint indicated a minimal contribution from the de -di pair and reveals H{\textendash}H as a major contribution to the Hirsfeld surface. However, the molecular packing did not confirm H{\textendash}H as a significant contributor the packing. Docking calculations on the compound showed average theoretical binding energies toward aromatase (-5.99 \& PLUSMN; 0.34 kcal/mol) and fibroblast growth factor receptor (FGFR) (-17.57 \& PLUSMN; 6.85 kcal/mol), indicating binding interactions with both protein targets.

}, keywords = {Computational studies, molecular modeling, Schiff base, X-ray crystallography}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2023.135928}, author = {Adimudo, Hillary Chijioke and Agu, Chidike Justus and Okenyeka, Obinna U. and Eddy, Nnabuk O. and Dim, Ebubechukwu Nnamdi and Dege, Necmi and Bonardd, Sebastian and Vanka, Kumar and Ibezim, Akachukwu and Idika, Digbo Iku and Diaz, David Diaz and Obasi, Nnamdi Lawrence} } @article {48304, title = {Synthesis of 3 alkyl and 1,3-Bis(alkyl)indolizine amides from a-bromohydroxamates}, journal = {Tetrahedron Letters}, volume = {118}, year = {2023}, month = {MAR}, pages = {154386}, type = {Article}, abstract = {

A simple and catalyst-free method has been developed for the synthesis of hindered indolizine amide derivatives from functionalized alkyl bromides. The reaction of a variety of indolizine derivatives with azaoxyallyl cations generated in situ from a-bromoamides afforded a wide range of synthetically important mono- and di-alkylated indolizine amide derivatives in good to excellent yields.@2023 Elsevier Ltd. All rights reserved.

}, keywords = {a -Bromohydroxamates, Amides, HFIP, Indolizine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2023.154386}, author = {Mane, Kishor D. and Bagwe, Sagar S. and More, Satish G. and Suryavanshi, Gurunath} } @article {49138, title = {Synthesis of advanced asbestos-free material using rice husk ash and marble waste for thermal insulation applications}, journal = {Biomass Conversion and Biorefinery}, volume = {13}, year = {2023}, month = {JUL}, pages = {8985-8998}, type = {Article}, abstract = {

The importance and utilization of advanced thermal insulating materials increase due to their broad and irreplaceable energy conservation role. This paper describes the novel way of achieving insulating material. In two waste by-products, namely rice husk ash (RHA), agriculture waste, and marble waste powder (MWP), industrial waste has been utilized to make asbestos-free advanced material for thermal insulation. A novel method for making asbestos-free advanced material for thermal insulation using RHA and marble waste{\textquoteright}s inherent characteristics has developed mechano-chemical for appropriate physico-chemical consolidation, densification, and ceramic processing route. The Si and Ca sources undergo a series of chemical transformations accompanied by mass transfer and thermal reactions during the synthesis process. The formation of this silicate compound occurs due to the presence of higher contents of CaO in marble waste powder (MWP) and silica in rice husk ash (RHA), resulting in thermal insulating characteristics in the advanced thermal insulation material (ATIM). Raman spectra of ATIM after heating at 1100 degrees C were mainly amorphous, which had a broad peak at 1072 cm(-1). This shows thermal transformation occurs after the heating process, the admixture of tailored powder, and fly ash (FA). The density of the ATIM is found to be 1150 kg/m(3). The phase transformation (glass transition temperature) was found in all the samples between 600 and 800 degrees C. The mechanical properties, namely the compressive strength and impact strength evaluation test, showed that the material meets the standard specifications for ceramic tiles. The thermal conductivity (W/mK) was calculated from different temperature 30, 50, 100,150, and 200 degrees C and found to be 0.571, 0.541, 0.516, 0.498, and 0.477, respectively. According to the test results, it is concluded that ATIM from MWP, RHA, and FA were excellent insulating components. The novel feature of the reported process is the development of non-toxic and asbestos-free thermal insulating low-cost material wherein chemically designed and mineralogically formulating desired phases lead to the homogeneous and effective thermal insulating matrix. The process is feasible, simple, cheap, and highly energy-efficient, increases production efficiency, and is environmentally friendly. The widespread use of advanced material for a broad application spectrum ranges from aerospace, automobile, electronics, transportation, construction, to other industries.

}, keywords = {Asbestos, Fly ash, Marble waste, Material, Rice husk ash, Thermal insulation}, issn = {2190-6815}, doi = {10.1007/s13399-021-01950-8}, author = {Verma, Sarika and Bajpai, Harsh and Suresh, S. and Mili, Medha and Gupta, Ritesh Kumar and Shetty, Rohit and Kamble, Sanjay and Khan, Mohd. Akram and Hashmi, S. A. R. and Srivastava, A. K.} } @article {48713, title = {Synthesis of N-functionalized 2,3-disubstituted benzofurans/naphthofurans from para-quinone methides and isocyanides via the [4+1] annulation pathway}, journal = {Organic Chemistry Frontiers}, volume = {10}, year = {2023}, month = {JUL}, pages = {3746-3751}, type = {Article}, abstract = {

A scandium triflate catalyzed [4 + 1] cycloaddition reaction of 2-hydroxy-substituted para-quinone methides and isocyanides has been developed. This operationally simple, efficient and practical protocol provides straightforward access to a variety of N-functionalized 2,3-disubstituted benzofuran/naphthofuran derivatives with broad functional group compatibility and good scalability.

}, issn = {2052-4129}, doi = {10.1039/d3qo00048f}, author = {Kale, Someshwar B. and Kumar, Manish and Shinde, Dinesh R. and Krishna, Gamidi Rama and Das, Utpal} } @article {48977, title = {Synthesis of novel rhodamine type anthrone Spiro-lactam (ASL) analogues and evaluation of antiviral activity against dengue and chikungunya viruses}, journal = {European Journal of Medicinal Chemistry }, volume = {261}, year = {2023}, month = {DEC }, type = {Article}, abstract = {

A series of Rhodamine type Anthrone-Spirolactam (ASL) derivatives Benzylimin-Anthrone-Spirolactam (ASL-1 to ASL-10) and Benzamide-Anthrone-Spirolactam (ASL-11 and ASL-12) were synthesized via a simple condensation reaction between Anthrone Spiro-lactamine (2) and various aromatic aldehyde and acyl chlorides respectively. Since rhodamine-based compounds were reported to have antiviral activity, the ASL derivatives were examined for in vitro antiviral activity against dengue and chikungunya viruses. Among all the analogues, ASL-3, ASL-6, ASL-7, ASL-8, ASL-9 and ASL-10 were the most potent against dengue virus (DENV) and exerted around one log reduction in virus titre under post -treatment conditions. At the same time ASL-3 was effective under cotreatment conditions. Two analogues ASL-6 and ASL-12 exerted anti-chikungunya virus (CHIKV) activity under post -treatment conditions. In silico docking studies revealed that the ASL derivatives interacted with the proteins of DENV and CHIKV. Together, the results suggest the anti-DENV and CHIKV activity of ASL derivatives which may be exploited further for therapeutic purposes.

}, keywords = {Anthrone Spiro-lactam, Chikungunya virus, dengue virus, Rhodamine}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2023.115849}, author = {Darole, Ratanamala S. and Bagad, Pooja K. and Gonnade, Rajesh G. and Alagarasu, Kalichamy and Punekar, Madhura and Shukla, Shridhar and Parashar, Deepti and Senthilkumar, Beeran} } @article {48453, title = {Synthesis of N-oxyethylene substituted imidazolium-based zwitterions as a recyclable solvent for cellulose dissolution}, journal = {Cellulose}, volume = {30}, year = {2023}, month = {JAN}, pages = {87-109}, type = {Article}, abstract = {

Cellulose is a readily available, renewable, and natural biomaterial that has the potential to replace synthetic fibres. However, their processing to shaped materials such as fibre or film is still complex and restricted due to its insolubility in most conventional solvents. Herein, we present the synthesis and cellulose dissolution characteristics of a new class of recyclable zwitterions composed of tethered N-oxyethylene substituted imidazolium cation and alkyl carboxylate anion. Investigations on cellulose dissolution showed that increasing the alkyl chain length of carboxylate anion and introduction of oxyethylene unit on imidazolium ring led to better cellulose dissolution ability, and up to 12\% (w/w) cellulose could be dissolved in aqueous zwitterions at 105 degrees C. The thermal behavior of zwitterions and their cellulose solutions was characterized by TGA and found to be more stable than the NMMO and Lyocell solutions. Rheological characterization of cellulose solutions revealed viscoelastic behavior and zero shear viscosity of 6-12\% (w/w) cellulose solution in hexanoate containing aqueous zwitterion was 555 to 5900 Pa.s at 120 degrees C. The characteristics of cellulose solution indicate its potential for processing to cellulose fibre by extrusion through a tiny spinneret. Physico-chemical analysis of regenerated cellulose indicates that zwitterions cause no adverse effect on cellulose structure and morphology during dissolution. The zwitterions are recovered after the cellulose regeneration process, and the recovery was found to be 99.6\% after purification using the ion-exchange method.

}, keywords = {Carboxylate anion, Cellulose dissolution, Oxyethylene unit, Regenerated cellulose, Rheology, zwitterions}, issn = {0969-0239}, doi = {10.1007/s10570-022-04883-1}, author = {Jadhav, Sachin and Ganvir, Vivek and Singh, Madan Kumar and Shanmuganathan, Kadhiravan} } @article {48720, title = {Synthesis of Si(IV)- and Ge(II)-substituted amines, hydrazone, and hydrazine from hypersilyl germylene}, journal = {Organometallics}, volume = {42}, year = {2023}, month = {OCT}, pages = {2983-2990}, type = {Article}, abstract = {

This study investigates the reactivity of a hypersilyl germylene [PhC-(NtBu)(2)GeSi-(SiMe3)(3)] (1) with various organic compounds including azides, diazoalkanes, 1,2-diphenylhydrazine, and trifluoroacetophenone. The reactivity observed in these reactions is driven by the insertion of the organic fragment between a silicon and germanium bond. This leads to the formation of novel compounds, including an amine featuring three different substituents from three different elements of group 14. When reacting with Me3SiCHN2, we observed the insertion of the diazoalkane fragment in an end-on fashion into the Ge-Si bond. An analogous trend was observed in reactions with 1,2-diphenylhydrazine and trifluoroacetophenone, where the N-N and C-O fragments were inserted into the Ge-Si bond. Multinuclear NMR and single-crystal X-ray diffraction analyses were conducted to characterize the newly synthesized compounds.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.3c00318}, author = {Ajithkumar, V. S. and Ghanwat, Pratiksha B. and Raj, K. Vipin and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {48672, title = {Systematic study of rare-earth ions size-dependent structural phase transition from monazite to zircon-type in rare earth chromates using Raman spectroscopy}, journal = {Journal of Raman Spectroscopy}, volume = {54}, year = {2023}, month = {JUL}, pages = {793-801}, type = {Article}, abstract = {

Rare earth chromates (RCrO4) undergo monazite to zircon-type structural phase transition due to a decreased rare-earth ion size. They also exhibit an intermediate mixed phase. However, there is no systematic study on the influence of structural distortion on their phononic behavior, which is quite sensitive to subtle environmental variations. A change in the room temperature phononic spectrum was studied in the family of RCrO4 compounds, where R was varied from La to Yb using Raman modes. With an increase in the atomic number from Nd to Yb for zircon-type phases, the external translational and rotational modes were observed to shift towards lower and higher wavenumbers, respectively. At the same time, all internal vibrational modes shifted towards higher phonon energies. A comparison between Raman modes for monazite, intermediate, and zircon-type RCrO4 phases showed a gradual shift in the internal modes towards a higher wavenumber. The confirmation of the change in Raman modes with the decreasing radius was found by comparing the rare-earth elements in DyCrO4 and LaCrO4 with non-rare-earth elements in YCrO4.

}, keywords = {monazite-type, Raman spectroscopy, rare earth chromates (RCrO4), YCrO4, zircon type}, issn = {0377-0486}, doi = {10.1002/jrs.6542}, author = {Ughade, Supriya and Poddar, Pankaj} } @article {49197, title = {Safety enhanced novel polymer electrolytes for lithium-ion battery: Anomalous output performance with long term cycling stability by doping and polymer blending}, journal = {MATERIALS TODAY CHEMISTRY}, volume = {39}, year = {2024}, month = {JUL}, pages = {102121}, keywords = {Blend polymers, Ceramic fillers, Gel polymer electrolytes}, issn = {2468-5194}, doi = {10.1016/j.mtchem.2024.102121}, author = {Balakrishnan, Neethu T. M. and Melepurakkal, Amrutha and Das, Akhila and Kenz, K. T. Mohammed and Subramaniam, Mohanapriya and Shelke, Manjusha and Pullanchiyodan, Abhilash and Raghavan, Prasanth} } @article {49374, title = {Saturated NHC-stabilized borenium, boronium, hydride-bridged boron cations, and a bora-acyl chloride}, journal = {ORGANOMETALLICS}, volume = {43}, year = {2024}, month = {JUN }, pages = {1355-1361}, keywords = {activation, BORINIUM, Chemistry}, issn = {0276-7333}, doi = {10.1021/acs.organomet.4c00139}, author = {Kundu, Gargi and Amrutha, P. R. and Tothadi, Srinu and Sen, Sakya S.} } @article {49238, title = {Scalable approach using a gC3N4 -covalent organic framework hybrid catalyst towards sustainable hydrogen production from seawater and wastewater}, journal = {CHEMICAL SCIENCE}, volume = {15}, year = {2024}, month = {AUG 22}, pages = {13381-13388}, type = {Journal Article}, issn = {2041-6520}, doi = {10.1039/d4sc01387e}, author = {Asokan, Kiran and Bhagyasree, T. M. and Devasia, George and Krishnamurty, Sailaja and Solim, Sabah and Rueda, Lina and Al-Mohannadi, Dhabia M. and Al-Hashimi, Mohammed and Kakosimos, Konstantinos and Santhosh Babu, Sukumaran} } @article {49034, title = {Scalable, interfacially synthesized, covalent-organic framework (COF)-based thin-film composite (TFC) hollow fiber membranes for organic solvent nanofiltration (OSN)}, journal = {ACS Applied Materials and Interfaces }, volume = {16}, year = {2024}, month = {APR}, pages = {19463-19471}, type = {Article}, abstract = {

Covalent organic frameworks have great potential for energy-efficient molecular sieving-based separation. However, it remains challenging to implement COFs as an alternative membrane material due to the lack of a scalable and cost-effective fabrication mechanism. This work depicts a new method for fabricating a scalable in situ COF hollow fiber (HF) membrane by an interfacial polymerization (IP) approach at room temperature. The 2D COF film was constructed on a polyacrylonitrile HF substrate using aldehyde (1,3,5-trimethylphloroglucinol, Tp) and amine (4,4 {\textquoteleft}-azodianiline (Azo) and 4,4 {\textquoteleft},4 {\textquoteleft}{\textquoteright}-(1,3,5-triazine- 2,4,6-triyl) trianiline (Tta)) as precursors. The COF membrane on the PAN substrate showed 99\% rejection of Direct red-80 with remarkable solvent permeance. The rejection analysis revealed that the structural aspects of the solute molecule play a major role in rejection rather than the molecular weight. We further optimized the precursor concentrations to improve the permeation performance of the resulting membrane. The durability study reveals excellent stability of the membrane toward organic solvents. This study also demonstrated the easy scalability of the membrane fabrication approach. The approach was further extrapolated to fabricate a cation-based COF membrane. These charged membranes exhibited an enhanced rejection performance. Finally, this approach can facilitate industrially challenging molecular sieving applications using COF-based membranes.

}, keywords = {covalent-organic framework, hollow fiber, interfacial polymerization, organic solvent nanofiltration, selective COF membrane}, issn = {1944-8244}, doi = {10.1021/acsami.4c00305}, author = {Kunjattu, Shebeeb H. and Thorat, Nitin M. and Gawas, Saroj and Kharul, Ulhas K.} } @article {49259, title = {Scaling-up continuous production of mesoporous silica particles at kg scale: design \& operational strategies}, journal = {Reaction Chemistry \& Engineering}, volume = {9}, year = {2024}, month = {JUN }, pages = {1914-1923}, type = {Article}, abstract = {

This paper demonstrates a continuous flow pilot-scale production of highly porous mesoporous silica particles (MSPs) via a soft template based technique. The study presents pilot scale reactor design, fabrication and production of mesoporous silica particles with a 1 kg per day production rate. The extent of mixing and overall performance of the system were evaluated by conducting a hydrodynamic study, including the estimation of the heat transfer coefficient and dispersion number. Nanoparticle synthesis in a clogging-free manner is the key challenge in moving towards large scale production and commercial applications. This article presents a comprehensive study on the effect of key parameters for successful scaling up of the process. We have also addressed challenges faced and how these are overcome by troubleshooting the process. Different strategies were used to prevent the clogging of the reactor, which involved reactant dilution, periodic pulsation and slug flow (two phase flow). Among them, slug flow allows us to operate the reactor continuously for several hours without clogging and wall-deposition problems. It helped produce morphologically well-defined and near-monodisperse particles. With this process, the production is validated at a scale of 85 times compared to that of a laboratory system (from 22 mL to \>1.5 L), enabling a production rate of 20-50 g h(-1).

}, issn = {2058-9883}, doi = {10.1039/d3re00707c}, author = {Jundale, Rajashri B. and Sonawane, Jayesh R. and Palghadmal, Anil V. and Jaiswal, Hemant Kumar and Deore, Hital S. and Kulkarni, Amol A.} } @article {49077, title = {Scanning tunneling microscopy investigation of synaptic behavior in AgInS2 quantum dots: effect of ion transport in neuromorphic applications}, journal = {ACS Applied Nano Materials }, volume = {7}, year = {2024}, month = {MAR}, pages = {7226-7236}, type = {Article}, abstract = {

Scanning tunneling microscopy (STM) is a powerful technique for investigating the nanoscale properties of functional materials. Additionally, scanning tunneling spectroscopy (STS) facilitates the determination of the local density of states (LDOS) within the material. In this study, we present an exploration of the resistive switching (RS) properties and neuromorphic computing capabilities of individual AgInS2 quantum dots, utilizing STM and STS techniques. By examining the material{\textquoteright}s bandgap and its temperature dependence, we uncover a nonlinear variation below the Debye temperature and a linear trend at higher temperatures. Moreover, STS measurements demonstrate changes in the conducting states induced by localized pulses, further confirming the unique characteristics of the quantum dots. The experimental devices constructed by using these quantum dots effectively replicate the RS properties observed at the nanoscale. To assess the neuromorphic application of the devices, pulse transient measurements simulating the learning and forgetting processes were conducted. The gradual set and reset processes successfully mimic the information retention and erasure capabilities essential for neuromorphic computing. Notably, the resistive switching mechanism in these devices is attributed to localized ionic transport, which highlights the significant involvement of ionic species in the observed RS behavior. The outcomes of this study contribute to the fundamental understanding of RS properties in single AgInS2 quantum dots and offer valuable insights into their potential applications in neuromorphic computing.

}, keywords = {corona poling, Ion transport, neuromorphic computing, quantum dots, resistive switching, Scanning tunneling microscopy, STS}, doi = {10.1021/acsanm.3c06272}, author = {Betal, Atanu and Chetia, Anupam and Bera, Jayanta and Saikia, Dibyajyoti and Sharma, Ashish and Rath, Arup K. and Sahu, Satyajit} } @article {49398, title = {Selective oxidation of biomass derived 5-hydroxymethylfurfural (HMF) to 2,5-diformylfuran (DFF) over spent dry cell battery cathode material (BCM-2)}, journal = {ACS Applied Engineering Materials}, volume = {2}, year = {2024}, month = {NOV}, type = {Article}, abstract = {

Widespread use of batteries across the globe generates a huge amount of waste. This work is the first to report spent dry cell (Zn-Carbon) battery cathode material (BCM-2) as a heterogeneous catalyst for selective synthesis of fine chemical 2,5-diformylfuran (DFF). Cathode material was easily separated from spent batteries, and acid leached followed by calcination to obtain black powder that was denoted as BCM-2. The catalyst was characterized using various techniques such as P-XRD, EDAX, SEM, HR-TEM, TGA, XPS, and BET analysis. Superior catalytic activity was shown by the catalyst for selective formation of DFF using molecular O2\ as a sole oxidant. The catalyst was found to give excellent HMF conversion of 97\% with 98\% high selectivity of DFF. The BCM-2 catalyst was easily recycled and reused without any significant loss in its catalytic activity. This is one of the best examples for a sustainable, cost-effective, and highly efficient catalytic system for the synthesis of the value-added chemical DFF.

}, doi = {https://doi.org/10.1021/acsaenm.4c00537}, author = {Ghadge, Sambhaji S. and Bankar, Shubham R. and Jadhav, Vrushali H.} } @article {49223, title = {Selective synthesis of renewable diesel fuel precursors via C-C condensation of biomass-derived furans using a niobium oxide nanocatalyst}, journal = {ACS SUSTAINABLE CHEMISTRY \& ENGINEERING}, volume = {12}, year = {2024}, month = {SEP }, pages = {15923-15934}, type = {Journal Article}, keywords = {2-Methylfuran, Catalysts, dehydration, NB2O5, RANGE ALKANES, solid acid, Valorization}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.4c03886}, author = {Kumar, Mudavath Arun and Swapna, Bhattu and Kalbande, Pavan Narayan and Yalagandula, Lavanya and Singh, Satyapaul A. and Sudarsanam, Putla} } @article {49188, title = {Self-consistent molecular mechanism of β2-microglobulin aggregation}, journal = {Journal of Physical Chemistry B}, volume = {128}, year = {2024}, month = {DEC}, pages = {12425-12442}, type = {Article}, abstract = {

Despite the consensus on the origin of dialysis-related amyloidosis (DRA) being beta(2)-microglobulin (beta(2)m) aggregation, the debate on the underlying mechanism persists because of the continuous emergence of beta(2)m variant- and pH-dependent contradictory results. By characterizing the native monomeric (initiation) and aggregated fibrillar (termination) states of beta(2)m via a combination of two enhanced sampling approaches, we here propose a mechanism that explains the heterogeneous behavior of wild-type (WT) and pathogenic (V27M and D76N) beta(2)m variants in physiological and disease-pertinent acidic pH environments. It appears that the higher retainment of monomeric native folds at neutral pH (native-like) distinguishes pathogenic beta(2)m mutants from the WT (moderate loss). However, at acidic pH, all three variants behave similarly in producing a substantial amount of partially unfolded states (conformational switch, propensity), though with different extents (WT \< V27M \< D76N). Whereas at the fibrillar end, all beta(2)m variants display a pH-dependent protofilament separation pathway and a higher protofilament binding affinity (stability) at acidic pH, where the relative order of binding affinity (WT \< V27M \< D76N) remains consistent with pH modulation. Combining these observations, we conclude that beta(2)m variants possibly shift from native-like aggregation to conformational switch-initiated fibrillation as the pH is altered from neutral to acidic. The combined propensity-stability approach based on the initiation and termination points of beta(2)m aggregation not only assists us in deciphering the mechanism but also emphasizes the protagonistic roles of both terminal points in the overall aggregation process.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.4c06611}, author = {Tammara, Vaishnavi and Das, Atanu} } @article {49016, title = {Shell waste valorization to chemicals: methods and progress}, journal = {Green Chemistry }, volume = {26}, year = {2024}, month = {MAY}, pages = {5601-5634}, type = {Review}, abstract = {

In light of growing energy and resource demands, the conversion of biomass materials into diverse chemicals and fuels holds significant importance. This process enables the utilization of biomass as a valuable and renewable resource to meet these escalating needs. The current biomass valorization processes are largely based on plant-derived lignocellulosic biomass materials. Studying new genres of biomass materials and their value addition is highly desirable, and they would complement and expand the existing biorefinery system. Crustacean shell waste represents a highly potential bioresource that is composed of a set of useful chemicals, among which chitin, the amino polysaccharide, has come to the fore as a promising material for a plethora of applications. In terms of the abundance of biopolymers on Earth, cellulose is the most prevalent biopolymer, and chitin ranks as the second. The presence of biologically fixed nitrogen in the structure of chitin opens up new possibilities for making useful chemicals, notably nitrogen-containing chemicals, which are otherwise impossible to produce directly from lignocellulosic biomass. In the last two decades, several attempts have been made by researchers in this area to convert chitin and its derivatives into valuable chemicals. This review comprehensively summarizes the transformation of the chitin fraction from shell waste to various chemicals through different thermo-catalytic processes and appraises the advancements in this area. The effect of various catalytic systems on chitin biomass valorization processes and the challenges and opportunities allied to this are discussed. This review summarises the thermo-catalytic processes converting chitin from shell waste into diverse chemicals and reviews the advances, catalytic systems, and associated challenges.

}, issn = {1463-9262}, doi = {10.1039/d3gc05177c}, author = {Korampattu, Lavanya and Ghosh, Neha and Dhepe, Paresh L.} } @article {49043, title = {Short review on the synthetic routes for the antiepileptic drug (S)-levetiracetam}, journal = {Organic Process Research and Development }, volume = {28}, year = {2024}, month = {MAR }, pages = {924-936}, type = {Review}, abstract = {

Epilepsy is a chronic disorder characterized by recurrent unpredictable seizures. Levetiracetam (Keppra) was introduced by UCB for the treatment of partial onset seizures in patients above 16 years of age diagnosed with epilepsy. This review reports synthetic strategies available for the synthesis of (S)-levetiracetam and will certainly aid the quest for the development of new routes for its synthesis.

}, keywords = {antiepileptic drug, butyrolactam, epilepsy, levetiracetam, synthesis}, issn = {1083-6160}, doi = {10.1021/acs.oprd.4c00002}, author = {Paul, Sayantan and Bhattacharya, Asish K.} } @article {49212, title = {Shuttle balance between lithiophilic functionalities substituted on conjugated polymers to improve lithium-ion diffusion and cycling stability of batteries}, journal = {Macromolecules}, volume = {57}, year = {2024}, month = {AUG}, pages = {7830-7840}, type = {Article}, abstract = {

Herein, we report the design and synthesis of i-Indigo and trans-1,2-di(2-thienyl)ethylene (TVT) comprising copolymers with various side chains that are used as anode-cum-binder in Li-ion batteries. The TVT disrupts the crystallinity, and the i-Indigo renders the handle for unsymmetrical substitution. Polymer P1 comprises alkyl chains on i-Indigo, whereas P2 comprises an alkyl chain and a chain with a urethane moiety as another side chain. Polymer P3 comprises i-Indigo with a urethane moiety and triethylene glycol as side chains. The i-Indigo in P4 is substituted with triethylene glycol and alkyl chains as side chains. These polymers were found to be amorphous with pi-pi stacking due to the extremely small torsional angle imparted by TVT moieties. All of these polymers showed comparable specific capacity while used as an anode in Li-ion batteries due to the presence of a common conjugated backbone. However, the battery metrics varied significantly while the current density of the batteries varied between 0.1 and 2.0 A g(-1). P1 and P2 showed a very close recovery of specific capacity at 0.1 A g(-1) before and after various current densities. However, polymers P3 and P4 did not recover from the specific capacity fading due to the presence of triethylene glycol side chain that degraded. Polymer P2 with an alkyl side chain and a chain with a urethane moiety showed stable performance over 2000 charge-discharge cycles. Contrary to this, the stability of polymers with triethylene glycol side chains decreased over 2000 charge-discharge cycles. Polymer P2 with a urethane side chain also showed improved Li-ion diffusion because the urethane moiety facilitated better Li-ion transport.

}, issn = {0024-9297}, doi = {10.1021/acs.macromol.4c01036}, author = {Kargude, Radhakisan and Javaregowda, Bharathkumar H. and Palani, Sathishkumar and Singh, Anup K. and Krishnamoorthy, Kothandam} } @article {49444, title = {Silver nanoparticles in electrospun ethyl hydroxy ethyl cellulose-PVA Nanofiber: synthesis, characterization and wound dressing applications}, journal = {Carbohydrate Polymer Technologies and Applications}, volume = {7}, year = {2024}, month = {JUN}, pages = {100477}, type = {Article}, abstract = {

Electrospinning is a simple, cost-effective technique and a reproducible process for both synthetic and\ natural polymers. It is found to be an attractive tool for various applications in biomedical engineering, filtration, protective clothing, catalysis reactions and sensors. Non-ionic cellulose ethers namely Ethyl Hydroxy\ Ethyl Cellulose\ (EHEC) is an important\ polysaccharide\ which is non-toxic, biocompatible and biodegradable and finds applications as thickening/rheology control agents in paints, cosmetics, detergents, oil recovery and also in the biomedical area. Poly (vinyl alcohol) (PVA) is a semi-crystalline\ hydrophilic polymer\ which is highly biocompatible and non-toxic having good thermal and mechanical properties and also high water solubility. Silver shows powerful antimicrobial activity and is non-toxic. It has been used to cure severe burns and chronic ulcers for many decades and is extensively used as an additive in various fields like prostheses, burn treatment, catheters, vascular grafts, dental resin components, ion exchange fibers,\ stainless steel\ materials, human skin and coating of\ medical devices. In the present work, EHEC/PVA\ nanofibers\ embedded with silver\ nanoparticles\ (AgNPs) are studied for their\ antibacterial activity\ using both gram positive and\ gram negative bacteria. The\ nanofibers\ show increase in\ tensile properties\ with the addition of silver nano-particles. The\ AgNPs\ embedded EHEC/PVA nanofiber mats having 0.5\% AgNPs were found to enhance the\ wound healing\ with no scar formation in\ wistar rats. The biological\ in-vitro\ and\ in-vivo\ studies support the potential of EHEC based\ nanofibers\ as excellent bio-materials for the treatment of severe burns and\ wounds. To the best of our knowledge, this is the first report on the electrospinning of EHEC/PVA nanofibers for wound healing applications.

}, doi = {https://doi.org/10.1016/j.carpta.2024.100477}, author = {Wali, Ashwini and Gorain, Mahadeo and Kundu, Gopal and Badiger, Manohar} } @article {49655, title = {Simultaneously mechanically flexible, photobending, and acidochromic cyanostilbene molecular crystals}, journal = {Crystal Growth \& Design}, volume = {25}, year = {2024}, month = {DEC}, pages = {309-318}, type = {Article}, abstract = {

Molecular crystals that respond to multiple stimuli are gaining significant attention for their potential in smart materials like actuators and sensors. However, imparting multiple stimuli-responsive properties to a single crystal remains a major challenge. Herein, we report two cyanostilbene derivative-based crystals 1 and 2, with various responses to stimuli such as mechanical stress, light, acid vapors, etc. Both crystals 1 and 2 demonstrated mechanical flexibility and reversible acidochromism. Additionally, crystal 1 also exhibited light-induced photobending, which is ascribed to Z to E photoisomerization. Detailed structure-property correlation was established to unravel distinct mechanical responses. The development of these multitasking crystals may find applications in multitasking actuators, anticounterfeiting materials, and more.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.4c01341}, author = {Parthasarathy, Thiyagaraj and Mishra, Manish Kumar and Bhattacharya, Biswajit and Emmerling, Franziska and Ghosh, Soumyajit} } @article {48931, title = {Single-atom alloys of Cu(211) with earth-abundant metals for enhanced activity towards CO2 dissociation}, journal = {Journal of Molecular Graphics and Modelling }, volume = {126}, year = {2024}, month = {JAN}, type = {Journal Article}, abstract = {

CO2, a byproduct from various industrial reactions, must not be released into the atmosphere and should be managed through capture, conversion, and utilization. The first step in converting CO2 into valuable products is to break the C-O bond. This work focuses on designing Single Atom Catalysts (SACs) by doping Cu(211) surface with 13 different s, p, and d block elements with an aim to minimize the activation barrier for C-O bond cleavage. Our work demonstrates that SACs of Mg/Al/Pt@Cu(211) favor CO2 chemisorption compared to Cu(211) where CO2 physisorbs. The barrier for CO2 dissociation is lowest for Mg@Cu(211) and it increases in the order Mg@Cu(211) \< Al@Cu(211) \< Pt@Cu(211) \< Zn@Cu(211) \< Ga@Cu(211) \< Cu@Cu(211) \< Pd@Cu(211). These findings suggest that doping Cu(211) with earth-abundant metal like Mg can potentially be a viable catalyst for CO2 conversion, providing a promising solution to reduce carbon footprint and mitigate climate change.

}, keywords = {CO2, Cu(211), DFT, Single atom catalysts}, issn = {1093-3263}, doi = {10.1016/j.jmgm.2023.108656}, author = {Thakkar, Kavita and Joshi, Kavita} } @article {49352, title = {Size and morphology dependent activity of Cu clusters for CO2 activation and reduction: a first principles investigation}, journal = {ChemPhysChem}, volume = {25}, year = {2024}, month = {DEC}, type = {Article}, abstract = {

Various Cu-based materials in diverse forms have been investigated as efficient catalysts for electrochemical reduction of CO2; however, they suffer from issues such as higher over potential and poor selectivity. The activity and selectivity of CO2 electro reduction have been shown to change significantly when the surface morphology (steps, kinks, and edges) of these catalysts is altered. In light of this, size and morphology dependent activity of selected copper clusters, Cun (n=2-20) have been evaluated for the activation and reduction of CO2 molecule. The phase-space of these copper clusters is rich in conformations of distinct morphologies starting from planar, 2D geometries to prolate-shaped geometries and also high-symmetry structures. The binding efficiency and the activation of CO2 are highest for medium sized clusters (n=9-17) with prolate-morphologies as compared to small or larger sized CunCO(2) clusters that are existing mainly as planar (triangular, tetragonal etc.) or highly-symmetric geometries (icosahedron, capped-icosahedron etc.), respectively. The best performing (prolate-shaped) CunCO2 conformations are quite fluxional and also they are thermally stable, as demonstrated by the molecular dynamics simulations. Furthermore, on these CunCO(2) conformations, the step-by-step hydrogenation pathways of CO2 to produce value-added products like methanol, formic acid, and methane are exceptionally favorable and energy-efficient.

}, keywords = {CO2 activation, CO2 hydrogenation, Copper clusters, Density Functional Theory (DFT), molecular dynamics}, issn = {1439-4235}, doi = {10.1002/cphc.202400442}, author = {Amin, Seerat and Krishnamurty, Sailaja and Dar, Manzoor Ahmad and Joshi, Krati} } @article {49089, title = {Size matters: computational insights into the crowning of noble gas trioxides}, journal = {Inorganic Chemistry}, volume = {63}, year = {2024}, month = {FEB}, pages = {4099-4107}, type = {Article}, abstract = {

In pursuit of enhancing the stability of the highly explosive and shock-sensitive compound XeO3, we performed quantum chemical calculations to investigate its possible complexation with electron-rich crown ethers, including 9-crown-3, 12-crown-4, 15-crown-5, 18-crown-6, and 21-crown-7, as well as their thio analogues. Furthermore, we expanded our study to other noble gas trioxides (NgO(3)), namely, KrO3 and ArO3. The basis set superposition error (BSSE) corrected interaction energies for these adducts range from -13.0 kcal/mol to -48.2 kcal/mol, which is notably high for sigma-hole-mediated noncovalent interactions. The formation of these adducts was observed to be more favorable with the increase in the ring size of the crowns and less favorable while going from XeO3 to ArO3. A comprehensive analysis by various computational tools such as the mapping of the electrostatic potential (ESP), Wiberg bond indices (WBIs), Bader{\textquoteright}s theory of atoms-in-molecules (AIM), natural bond orbital (NBO) analysis, noncovalent interaction (NCI) plots, and energy decomposition analysis (EDA) revealed that the C-H center dot center dot center dot O interactions, as well as dispersion interactions, play a pivotal role in stabilizing adducts involving larger crowns. A noteworthy outcome of our study is the revelation of a coordination number of 9 for xenon in the complex formed between XeO3 and the thio analogue of 18-crown-6, which is higher than the largest number reported to date.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.3c03782}, author = {Dash, Soumya Ranjan and Sharma, Himanshu and Tiwari, Mrityunjay K. and Greb, Lutz and Vanka, Kumar} } @article {49415, title = {Slowdown of solvent structural dynamics in aqueous DMF solutions}, journal = {Chemical Physics Impact}, volume = {9}, year = {2024}, month = {DEC}, abstract = {

This study presents a comprehensive investigation into the molecular dynamics of solvation environments through an integrated approach combining Fourier-transform infrared (FTIR) spectroscopy, molecular dynamics (MD) simulations, and two-dimensional infrared (2D IR) spectroscopy. We explore the solvation of an ionic solute (ammonium thiocyanate) in various solvent systems, including N,N-dimethylformamide (DMF), water, and a 0.5 mole fraction of DMF in water, aiming to unravel the intricate interplay between solute-solvent interactions and solvent dynamics across diverse solvation environments. By integrating FTIR spectral analysis with radial distribution functions and coordination numbers obtained from MD simulations, we decipher the solvent composition around the solute molecule. Analysis of 2D IR spectra and hydrogen bond, as well as dipolar autocorrelation function from MD simulations, further elucidates the nuances of solute-solvent interactions, highlighting the impact of solvent dynamics on solvation structures. Our results reveal a significant slowdown of the solvent structural dynamics in the equimolar binary solvent mixture compared to the neat solvents. This slowdown underscores the complex relationship between solute-solvent interactions and solvent dynamics. The integration of FTIR, MD simulations, and 2D IR spectroscopy provides a unified framework for obtaining a holistic understanding of solvation dynamics, offering valuable insights into the underlying molecular mechanisms governing solute-solvent interactions in complex systems. These results pave the way for future studies to delve deeper into the molecular intricacies of solvation phenomena.

}, doi = {https://doi.org/10.1016/j.chphi.2024.100711}, author = {Pathania, Akhil and Bagchi, Sayan} } @article {48944, title = {Solid state hydrogen storage: Decoding the path through machine learning}, journal = {International Journal of Hydrogen Energy }, volume = {50}, year = {2024}, month = {JAN}, pages = {1518-1528}, type = {Article}, abstract = {

We present a machine learning (ML) framework HEART (HydrogEn storAge propeRty predicTor) for identifying suitable families of metal alloys for hydrogen storage under ambient conditions. Our framework includes two ML models that predict the hydrogen storage capacity (HYST) and the enthalpy of hydride formation (THOR) of multi-component metal alloys. We demonstrate that a chemically diverse set of features effectively describes the hydrogen storage properties of the alloys. In HYST, we use absorption temperature as a feature which improved H2wt\% prediction significantly. For out-of-the-bag samples, HYST predicted H2wt\% with R2 score of 0.81 and mean absolute error (MAE) of 0.45 wt\% whereas R2 score is 0.89 and MAE is 4.53 kJ/molH2 for THOR. These models are further employed to predict H2wt\% and Delta H for similar to 6.4 million multi-component metal alloys. We have identified 6480 compositions with superior storage properties (H2wt\% \> 2.5 at room temperature and Delta H \< 60 kJ/molH2). We have also discussed in detail the interesting trends picked up by these models like temperature dependent variation in the rate of hydrogenation and alloying effect on H2wt\% and Delta H in different families of alloys. Importantly certain elements like Al, Si, Sc, Cr, and Mn when mixed in small fractions with hydriding elements like Mg, Ti, V etc. systematically reduce Delta H without significantly compromising the storage capacity. Further upon increasing the number of elements in the alloy i.e from binary to ternary to quaternary, the number of compositions with lower enthalpies also increases. From the 6.4 million compositions, we have reported new alloy families having potential for hydrogen storage at room temperature. Finally, we demonstrate that HEART has the potential to scan vast chemical spaces by narrowing down potential materials for hydrogen storage.

}, keywords = {Enthalpy of hydride formation, Hydrogen storage capacity, Metal hydrides, Predictive machine learning models, Solid-state hydrogen storage}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2023.10.056}, author = {Verma, Ashwini and Wilson, Nikhil and Joshi, Kavita} } @article {49042, title = {Solid-state NMR method for characterization of pharmaceutical eutectics}, journal = {Physical Chemistry Chemical Physics}, volume = {26}, year = {2024}, month = {JAN }, pages = {3800-3803}, type = {Article}, abstract = {

Pharmaceutical eutectics are extremely useful for designing formulations, and currently, there are no techniques other than differential scanning calorimetry (DSC) that can confirm their formation. In this study, we demonstrate that 1H fast magic angle spinning (MAS) solid-state NMR (SSNMR) experiments can confirm the formation of eutectics by detecting their intermolecular hydrogen bonding interactions. 2D 1H-1H double quantum single quantum (DQSQ) correlation SSNMR experiment is demonstrated which can confirm the formation of pharmaceutical eutectics for which there are no techniques other than differential scanning calorimetry (DSC).

}, issn = {1463-9076}, doi = {10.1039/d3cp05615e}, author = {Hareendran, Chaithanya and Shaligram, Parth S. and Gonnade, Rajesh and Ajithkumar, T. G.} } @article {49241, title = {Solution-phase ligand engineering for all-quantum-dot near-infrared light-emitting diodes}, journal = {ACS Applied Nano Materials}, volume = {7}, year = {2024}, month = {APR }, pages = {9126-9135}, type = {Article}, abstract = {

Strong emission over a wide near-infrared (NIR) region makes lead sulfide quantum dots (QDs) a preferred material in building NIR light-emitting diodes (NIR-LEDs) for numerous applications. Narrow-bandgap emitter QDs blended in the matrix of high-band gap QDs offer a simple yet powerful architectural platform for building high-performance NIR-LEDs. So far, the all-QD-based blend architecture has been realized using a poorly controlled solid-state ligand exchange approach. Advanced solution-phase ligand exchange, which offers greater control over surface passivation, is yet to be realized in all-QD LED device construction. We observe that the solution-phase ligand exchange from the optimized lead halide and thiol ligand combination, used in high-performing QD solar cell construction, is inefficient in realizing efficient all-QD LEDs, which could have restricted the adoption of the solution-phase ligand exchange thus far. Here, we introduce an innovative dual-ligand strategy to build all-QD-based NIR-LEDs using an advanced solution-phase ligand exchange approach. Through ligand engineering of matrix QDs, we managed to improve photoluminescence quantum yield (40\%), reduce trap density (10(14) cm(-3)), and prolong carrier lifetime (832 ns). The LED devices benefit from improved electronic properties and balanced carrier injection to yield 6\% EQE and 7.7\% PCE, which are six times higher than those of state-of-the-art ligands.

}, keywords = {electroluminescence, lead sulfide, ligand passivation, light-emitting diodes, near-infrared, quantumdots}, doi = {10.1021/acsanm.4c00634}, author = {Biswas, Arindam and Mitra, Anurag and Sharma, Ashish and Shinde, Dipak Dattatray and Dambhare, V. Neha and Sharma, Anjali and Mahajan, Chandan and Rath, Arup K.} } @article {49184, title = {Solvation dynamics and microheterogeneity in deep eutectic solvents}, journal = {Journal of Physical Chemistry B}, volume = {128}, year = {2024}, month = {DEC}, pages = {12669-12684}, type = {Review}, abstract = {

Deep eutectic solvents have attracted considerable attention due to their unique properties and their potential to replace conventional solvents in diverse applications, such as catalysis, energy storage, and green chemistry. However, despite their broad use, the microscopic mechanisms governing solvation dynamics and the role of hydrogen bonding in deep eutectic solvents remain insufficiently understood. In this article, we present our contributions toward unravelling the micro heterogeneity within deep eutectic solvents by combining vibrational Stark spectroscopy and two-dimensional infrared spectroscopy with molecular dynamics simulations. Our findings demonstrate how the composition, constituents, and addition of water significantly influence the heterogeneous hydrogen bonding network and solvent dynamics within these systems. These insights provide valuable guidance for the design of next-generation solvents tailored to specific applications. By integrating experimental and computational approaches, this work sheds light on the intricate relationship between solvation dynamics and nanostructure in deep eutectic solvents, ultimately paving the way for innovative advances in solvent design.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.4c06295}, author = {Chatterjee, Srijan and Chowdhury, Tubai and Bagchi, Sayan} } @article {49060, title = {Solvatochromism and side chain effects on the morphological behavior of bodipy-alt-i-Indigo copolymers }, journal = {New Journal of Chemistry}, volume = {48}, year = {2024}, month = {APR}, pages = {6954-6964}, type = {Article}, abstract = {

Among the factors that govern the self-assembly of a molecular system, side chains and solvent polarity play crucial roles in the morphological alteration of small molecules in solutions. Although the effect of side chains on the self-assembly of small molecules has been studied well, reports on their importance in the aggregation behavior of polymers are limited. Investigating whether a minor change in the side chain produce any significant impact on the morphology of the polymer in solution is of great research interest. Towards the end goal, to alter the morphology of polymers and to know the impact of the side chains on the self-assembly properties of the conjugated polymers, two BODIPY-i-Indigo alternating copolymers, P1 [poly(BDP12-alt-iI)] and P2 [poly(BDPE-alt-iI)], were synthesized, and their aggregation behavior was explored in various solvents. Both the copolymers, P1 and P2, exhibited narrow PDI values of 1.16 and 1.45, respectively. Although their cores are the same, P1 showed a thin film morphology, while P2 displayed a porous morphology (approximately 557 nm) in chloroform. On changing the solvent, P1 showed a porous morphology in a 50\% THF-CHCl3 mixture. However, in P2, the pores were reduced to extremely small sizes in the 50\% THF-CHCl3 mixture. This work demonstrates that even a minimal change in the side chains of copolymers and polarity differences between solvents can produce a drastic morphological effect.

}, issn = {1144-0546}, doi = {10.1039/d3nj04728h}, author = {Singh, Anup Kumar and Swain, Gitanjali and Birajdar, Sarika} } @article {49269, title = {Solvent-free hydroxylation of unactivated C-H bonds in small molecules and macromolecules by a Fe complex}, journal = {ACS CATALYSIS}, volume = {14}, year = {2024}, month = {APR }, pages = {7173-7181}, keywords = {Ball milling, solid-state C-H hydroxylation}, issn = {2155-5435}, doi = {10.1021/acscatal.4c00775}, author = {Chatterjee, Debasmita and Sajeevan, Amritha and Jana, Sandipan and Birajdar, Rajkumar S. and Chikkali, Samir H. and Sivaram, Swaminathan and Sen Gupta, Sayam} } @article {49196, title = {Solvent-free organic liquids: an efficient fluid matrix for unexplored functional hybrid materials}, journal = {Accounts of Chemical Research}, volume = {57}, year = {2024}, month = {FEB}, pages = {670-684}, type = {Review}, abstract = {

The invention of solvent-free organic liquids (SOLs) was serendipitous. However, the curiosity-driven research in the later stage delivered new soft materials with exciting optical, and optoelectronic properties along with appealing physical characteristics suitable for the futuristic applications. A slight change in the molecular design resulted in a drastic change in the physical state of molecules demonstrating monomer-like features in the bulk. The basic idea of core isolation has been successful in delivering new SOLs with attractive functional properties. The unique fluid matrix associated with SOLs offers a tremendous opportunity for making hybrid materials by simple mixing. The chance to study the fundamentally important electron transfer, energy transfer, charge transfer interactions, triplet-state emissions, and even detailed NMR experiments in the solvent-free neat state is the major attraction of SOLs. Usually, solvents and their polarity control such molecular properties, and in the case of SOLs, it avoids the use of solvents to study such fundamentally important properties. Besides, SOLs protect the triplet emitters and excited state processes involving triplet states from quenchers and make the analysis possible under ambient conditions. Our effort in this direction was focused on tuning the ground and excited state properties by transforming conventional organic molecules to SOLs and further value addition by preparing the hybrid SOLs. We developed a series of hybrid SOLs, exploring room-temperature phosphorescence, thermally activated delayed fluorescence, charge or energy transfer between donor and acceptor SOLs, selective explosive sensing, etc. A slight variation in the chemical structure or optoelectronic properties of the individual components imparted exciting optical features for the hybrid SOLs. It includes nonemissive charge transfer, tunable emission exciplex, room temperature phosphorescence, and thermally activated delayed fluorescence SOLs. The liquid matrix of donor SOLs accommodated varying amounts of acceptor SOLs to tune the ground and excited state features. In all examples of donor-acceptor-based hybrid SOLs, even a low amount of acceptor, such as a donor-acceptor ratio of 1000:1, can cause pronounced optical properties. Hence, the evaluation of the optical properties of SOLs, especially, in the absence of solvents is so special that it avoids the interference of solvent molecules. Still, the major drawback of SOLs remains unsolved until we report polymerizable SOLs. Although a large variety of SOLs have been reported in the literature, the long-lasting problem of surface stickiness of SOLs was resolved by polymerizable SOLs. It enabled the development of flexible, foldable, and stretchable large-area luminescent films suitable for lighting and display devices. In this Account, we summarize our work on SOLs, hybrid SOLs, polymerizable SOLs, and the application of SOLs in selective sensing of explosives. Finally, an outlook on the feasibility of luminescent polymerizable SOLs in futuristic applications is provided.

}, issn = {0001-4842}, doi = {10.1021/acs.accounts.3c00670}, author = {Wakchaure, Vivek Chandrakant and Channareddy, Goudappagouda and Babu, Sukumaran Santhosh} } @article {48970, title = {State-dependent dynamics of extramembrane domains in the β2-adrenergic receptor}, journal = {Proteins- Structure Function and Bioinformatics }, volume = {92}, year = {2024}, month = {MAR}, pages = {317-328}, type = {Article}, abstract = {

G protein-coupled receptors (GPCRs) are membrane-bound signaling proteins that play an essential role in cellular signaling processes. Due to their intrinsic function of transmitting internal signals in response to external cues, these receptors are adapted to be highly dynamic in nature. The beta(2)-adrenergic receptor (beta 2AR) is a representative member of the family that has been extensively analyzed in terms of its structure and activation. Although the structure of the transmembrane domain has been characterized in the different functional states of the receptor, the conformational dynamics of the extramembrane domains, especially the intrinsically disordered regions are still emerging. In this study, we analyze the state-dependent dynamics of extramembrane domains of beta(2)AR using atomistic molecular dynamics simulations. We introduce a parameter, the residue excess dynamics that allows us to better quantify receptor dynamics. Using this measure, we show that the dynamics of the extramembrane domains are sensitive to the receptor state. Interestingly, the ligand-bound intermediate R{\textquoteright} state shows the maximal dynamics compared to either the active R*G or inactive R states. Ligand binding appears to be correlated with high residue excess dynamics that are dampened upon G protein coupling. The intracellular loop-3 (ICL3) domain has a tendency to flip towards the membrane upon ligand binding, which could contribute to receptor {\textquoteleft}{\textquoteleft}priming.{\textquoteright}{\textquoteright} We highlight an important ICL1-helix-8 interplay that is broken in the ligand-bound state but is retained in the active state. Overall, our study highlights the importance of characterizing the functional dynamics of the GPCR loop domains.

}, keywords = {allosteric pathway, beta-2 adrenergic receptor, extramembrane domains, GPCR, loop dynamics, protein dynamics, protein network}, issn = {0887-3585}, doi = {10.1002/prot.26613}, author = {Nikte, Siddhanta V. and Joshi, Manali and Sengupta, Durba} } @article {49274, title = {Static and dynamic properties investigation of modified polyethersulfone membrane for direct methanol fuel cell applications}, journal = {JOURNAL OF POWER SOURCES}, volume = {615}, year = {2024}, month = {SEP }, type = {Journal Article}, keywords = {Cross-link membranes, Direct methanol fuel cell, Molecular modelling}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2024.235086}, author = {Shah, Mumtaj and Mesfer, Mohammed K. Al and Nagar, Harsha} } @article {49271, title = {Stereodivergent sila-germylenation vs. sila-stannylenation of an internal alkyne}, journal = {CHEMICAL COMMUNICATIONS}, volume = {60}, year = {2024}, month = {SEP }, pages = {9837-9840}, type = {Journal Article}, keywords = {DIVERSE REACTIVITY, H BOND ACTIVATION, hydrides}, issn = {1359-7345}, doi = {10.1039/d4cc02101k}, author = {Ajithkumar, V. S. and Ghanwat, Pratiksha B. and Saha, Sougata and Pati, Swapan K. and Sen, Sakya S.} } @article {49193, title = {Steroidal scaffold decorations in Solanum alkaloid biosynthesis}, journal = {Molecular Plant}, volume = {17}, year = {2024}, month = {AUG }, pages = {1236-1254}, type = {Article}, abstract = {

Steroidal glycoalkaloids (SGAs) are specialized metabolites produced by hundreds of Solanum species, including important vegetable crops such as tomato, potato, and eggplant. Although it has been known that SGAs play important roles in defense in plants and {\textquoteleft}{\textquoteleft}anti-nutritional{\textquoteright}{\textquoteright}effects (e.g., toxicity and bitterness) to humans, many of these molecules have documented anti-cancer, anti-microbial, antiinflammatory, anti-viral, and anti-pyretic activities. Among these, a-solasonine and a-solamargine isolated from black nightshade (Solanum nigrum) are reported to have potent anti-tumor, anti-proliferative, and anti-inflammatory activities. Notably, a-solasonine and a-solamargine, along with the core steroidal aglycone solasodine, are the most widespread SGAs produced among the Solanum plants. However, it is still unknown how plants synthesize these bioactive steroidal molecules. Through comparative metabolomictranscriptome-guided approach, biosynthetic logic, combinatorial expression in Nicotiana benthamiana, and functional recombinant enzyme assays, here we report the discovery of 12 enzymes from S. nigrum that converts the starting cholesterol precursor to solasodine aglycone, and the downstream a-solasonine, a-solamargine, and malonyl-solamargine SGA products. We further identified six enzymes from cultivated eggplant that catalyze the production of a-solasonine, a-solamargine, and malonyl-solamargine SGAs from solasodine aglycone via glycosylation and atypical malonylation decorations. Our work provides the gene tool box and platform for engineering the production of high-value, steroidal bioactive molecules in heterologous hosts using synthetic biology.

}, keywords = {a-solamargine, Biosynthetic pathway, malonyl-solamargine, Solanum, Specialized metabolites, steroidal glycoalkaloids}, issn = {1674-2052}, doi = {10.1016/j.molp.2024.06.013}, author = {Lucier, Rosalind and Kamileen, Mohamed O. and Nakamura, Yoko and Serediuk, Sofiia and Barbole, Ranjit and Wurlitzer, Jens and Kunert, Maritta and Heinicke, Sarah and O{\textquoteright}Connor, Sarah E. and Sonawane, Prashant D.} } @article {49422, title = {Strain improvement for cellulolytic enzymes for effective saccharification of lignocellulosic biomass by mutant of Penicillium funiculosum NCIM 1228}, journal = {Systems Microbiology and Biomanufacturing}, volume = {4}, year = {2024}, month = {FEB}, pages = {716{\textendash}730}, type = {Article}, abstract = {

Lignocellulosic biomass (LCB) generated from various agro-waste can be effectively used to manufacture a broad range of value-added products cost-effectively. However, the high cost of cellulases is still a major challenge in producing biofuels and biochemicals from LCB on an industrial scale. The enzyme output and activity of cellulase in the fermentation broth are closely linked in terms of enzyme manufacturing costs. Therefore, research on efficient fermentation processes of hyperactive fungi, and cost-effective recovery systems have been directed toward lowering enzyme costs and increasing overall enzyme production.\ Penicillium funiculosum\ NCIM 1228 (P. funiculosum\ NCIM 1228) is a feasible cellulase-producing strain that possesses all four enzymes required to efficiently hydrolyse LCB. The primary objective of this study was to employ random mutagenesis to increase enzymes titer, yield, and productivity. The potential mutant D4 (derived by Ethyl methanesulfonate (EMS) mutation) exhibited 6.47, 3.05, 3.03, and 3.19-fold higher activities of FPase, CMCase, β-glucosidase, and xylanase, respectively, compared to the parent strain. Mutant D4 demonstrated a promising protein titer of 17.96\ g/L at the 40\ L fermenter scale, with productivities of 479, 4249, and 6987 U/L/day for FPase, CMCase, and Xylanase, respectively, on the tenth day. Interestingly, the crude form of enzymes from the mutant demonstrated promising saccharification, releasing 3.54\% of glucose and achieving a 54.03\% of cellulose conversion efficiency without formulation. In comparison, a commercially formulated enzyme exhibited 53.07\% efficiency against pre-treated sugarcane bagasse, indicating its promising potential for future applications.

}, author = {Chavan, Sambhaji and Shete, Ashvini and Dharne, Mahesh S.} } @article {48966, title = {Strain improvement for enhanced erythritol production by Moniliella pollinis Mutant-58 using jaggery as a cost-effective substrate}, journal = {International Microbiology }, volume = {27}, year = {2024}, month = {APR}, pages = {581-596}, type = {Article}, abstract = {

Erythritol has been produced by various microorganisms including Yarrowia, Moniliella, Aureobasidium, and Candida strains. Due to its relatively high price, erythritol sweetener is used lesser than other polyols despite having many advantages. Therefore, in this study, Moniliella pollinis strain was improved for erythritol production by chemical mutagenesis and subsequently screening for cost-effective carbon sources for the enhanced erythritol yield. M. pollinis was subjected to N-methyl N-nitro N-nitroso guanidine (NTG), ethyl methyl sulfonate (EMS), and UV mutagenesis for improved erythritol production. The fmutant strains were evaluated for enhanced erythritol production medium optimization by using different carbon substrates at the shake flask level. To enhance the production of erythritol and statistical media, optimization was carried out using a central composite design (CCD). Among 198 isolated mutants, Mutant-58 strain generated by EMS mutagenesis was selected for further assessment. The Mutant-58 strain showed significant morphological changes as compared to the parent strain. Furthermore, statistically optimized media composition resulted in the higher production of erythritol (91.2 \& PLUSMN; 3.4 g/L) with a yield of 40.7 \& PLUSMN; 3.4 \% in shake flask experiments. The optimized medium composition for erythritol production constitutes (g/L) 225 jaggery, 4.4 yeast extract (YE), 4.4 KH2PO4, 0.31 MgSO4, and pH 5.5. The present study demonstrated strain improvement, media, and process optimization resulting in a 30\% increase in the erythritol production in the Mutant-58 as compared to the parent strain. This is also the first instance where jaggery has been used as a cost-effective carbon source alternative to glucose for industrial-scale erythritol production.

}, keywords = {Erythritol, Fermentation, Moniliella pollinis, Mutation, Optimization, renewable resource}, issn = {1139-6709}, doi = {10.1007/s10123-023-00411-8}, author = {Khatape, Anil B. and Rangaswamy, Vidhya and Dastager, Syed G.} } @article {49275, title = {Strategies employing transition-metal free conditions for C-C bond formation in indoles}, journal = {ChemistrySelect}, volume = {9}, year = {2024}, month = {SEP}, pages = {e202403280}, type = {Review}, abstract = {

Indole motifs are omnipresent in nature and can be found in many natural products as well as pharmaceuticals. It is for this reason synthetic transformations of indole have become a topic of interest for the organic and medicinal chemist community for decades. In this review, we have emphasized the functionalization of indoles via transition-metal-free approaches. This review touches on many aspects in different sub-sections, which gives a proposition of the tactics employed for the functionalization of indoles and an overview of the road ahead. In this review, essentially transition-metal-free conditions for C-C bond formation reactions in indoles has been explored. This review describes various approaches of functionalization at the C-2, C-3, C-4 and C-7 position of indoles which comprises arylation, alkenylation, acylation, formylation, alkylation, bisindolyl and cyclization strategies. Also, strategies incorporating N-alkylation/arylation has also been covered. image

}, keywords = {Alkylation, Arylation, formylation, Indole, transition-metal free}, issn = {2365-6549}, doi = {10.1002/slct.202403280}, author = {Ghodake, Balaji M. and Paul, Sayantan and Bhattacharya, Asish K.} } @article {49297, title = {Structural basis for a two-dimensional flexible pharmaceutical solvate crystal: indomethacin methanol}, journal = {CrystEngComm}, volume = {26}, year = {2024}, month = {OCT}, pages = {5694-5698}, type = {Article}, abstract = {

We report the first two-dimensionally (2D) elastically bendable and twistable pharmaceutical-solvate crystal, indomethacin methanol. Its flexibility is due to interlocked packing and a structural buffer acting like isotropic interactions. For the first time, we utilized Raman spectroscopy on the two elastic faces of a bent crystal region, revealing the inhomogeneous molecular distribution in the crystal structure during bending and validating the mechanistic model of the 2D elastic crystal. We present the first 2D elastic pharmaceutical-solvate crystal and utilized Raman spectroscopy to reveal inhomogeneous lattice distribution during bending.

}, doi = {10.1039/d4ce00920g}, author = {Bhowmik, Aritra and Bamane, Sanjivani and Mishra, Manish Kumar} } @article {49284, title = {Structural insights into ketanserin salts with aliphatic acids and their physiochemical properties}, journal = {CRYSTENGCOMM}, volume = {26}, year = {2024}, month = {NOV }, pages = {6260-6268}, type = {Journal Article}, keywords = {PHARMACEUTICAL COCRYSTAL, SEROTONIN, SHYDROCHLOROTHIAZIDE, solubility}, doi = {10.1039/d4ce00738g}, author = {Kenguva, Gowtham and Rout, Smruti Rekha and Shaikh, Tabrez R. and Baidya, Debjani and Shelke, Nikita and Sanphui, Palash and Dandela, Rambabu} } @article {49234, title = {Structural origin of relaxation in dense colloidal suspensions}, journal = {PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA}, volume = {121}, year = {2024}, month = {OCT }, type = {Journal Article}, keywords = {DEFORMATION, flow, glass-transition, ORDER, SOFT}, issn = {0027-8424}, doi = {10.1073/pnas.2405515121}, author = {Sahu, Ratimanasee and Sharma, Mohit and Schall, Peter and Bhattacharyya, Sarika Maitra and Chikkadi, Vijayakumar} } @article {49285, title = {Structure of epoxide hydrolase 2 from Mangifera indica throws light on the substrate specificity determinants of plant epoxide hydrolases}, journal = {Biochemical and Biophysical Research Communications}, volume = {733}, year = {2024}, month = {NOV }, pages = {150444}, type = {Article}, abstract = {

Epoxide hydrolases (EHs) are a group of ubiquitous enzymes that catalyze hydrolysis of chemically reactive epoxides to yield corresponding dihydrodiols. Despite extensive studies on EHs from different clades, generic rules governing their substrate specificity determinants have remained elusive. Here, we present structural, biochemical and molecular dynamics simulation studies on MiEH2, a plant epoxide hydrolase from Mangifera indica. Comparative structure-function analysis of nine homologs of MiEH2, which include a few AlphaFold structural models, show that the two conserved tyrosines (MiEH2Y152 and MiEH2Y232) from the lid domain dissect substrate binding tunnel into two halves, forming substrate-binding-pocket one (BP1) and two (BP2). This compartmentalization offers diverse binding modes to their substrates, as exemplified by the binding of smaller aromatic substrates, such as styrene oxide (SO). Docking and molecular dynamics simulations reveal that the linear epoxy fatty acid substrates predominantly occupy BP1, while the aromatic substrates can bind to either BP1 or BP2. Furthermore, SO preferentially binds to BP2, by stacking against catalytically important histidine (MiEH2H297) with the conserved lid tyrosines engaging its epoxide oxygen. Residue (MiEH2L263) next to the catalytic aspartate (MiEH2D262) modulates substrate binding modes. Thus, the divergent binding modes correlate with the differential affinities of the EHs for their substrates. Furthermore, long-range dynamical coupling between the lid and core domains critically influences substrate enantioselectivity in plant EHs.

}, keywords = {Enantioselectivity, Epoxide hydrolase, molecular dynamics simulation, Regioselectivity, X-ray crystallography}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2024.150444}, author = {Bhoite, Ashwini and Gaur, Neeraj K. and Palange, Megha and Kontham, Ravindar and Gupta, Vidya and Kulkarni, Kiran} } @article {49204, title = {Supercritical water hydrolysis of cellulose: State-of-the-art of green depolymerisation technique}, journal = {Biomass \& Bioenergy}, volume = {184}, year = {2024}, month = {MAY}, pages = {107182}, type = {Article}, abstract = {

Bio-refinery is a critical infrastructure to facilitate the fullest energy extraction from the pivotal energy resource biomass. Hydrolysis of the most abundant biomass constituent biopolymer cellulose to produce cello-oligomers and glucose is a critical step for the efficient production of various chemicals and fuels. Supercritical water hydrolysis (SCWH) of cellulose has emerged as the promising greener technology for the production of glucose and simple sugars. Glucose production by SCWH enables the process integration or cascading for the production of various biofuels, bioenergy, bio-based chemicals, and various bio-products, necessary for the impeccable success of cellulosic biomass-based bio-refinery. Starting from the unique interaction of cellulose and supercritical water, this minireview provides an insight into the various aspects of the SCWH of cellulose including mechanism, reaction pathways, product distribution, process optimization, and kinetic modelling. The batch reactors are simple reactor configurations for such high pressure and temperature; however, continuous flow reactors are essential for better control over process conditions and for an efficient process. With more understanding of reaction mechanism and product distribution, heat and mass transfer conjugation with reaction rates and design of high-pressure equipment, an efficient completely green process can be developed for cellulose and such biopolymer hydrolysis.

}, keywords = {Bio-refinery, cellulose, glucose, Supercritical water, Ultra-fast reactions}, issn = {0961-9534}, doi = {10.1016/j.biombioe.2024.107182}, author = {Kulkarni, Sphurti P.} } @article {49231, title = {Supramolecular polyplexes from Janus peptide nucleic acids (bm-PNA-G5): self-assembled bm-PNA G-quadruplex and its tetraduplex with DNA}, journal = {ORGANIC \& BIOMOLECULAR CHEMISTRY}, volume = {22}, year = {2024}, month = {AUG 22}, pages = {6810-6821}, type = {Journal Article}, keywords = {DOUBLE-HEADED NUCLEOTIDES, ENERGY-TRANSFER, Guanine, MAJOR GROOVE}, issn = {1477-0520}, doi = {10.1039/d4ob00968a}, author = {Todkari, Iranna Annappa and Chaudhary, Preeti and Kulkarni, Mahesh J. and Ganesh, Krishna N.} } @article {49114, title = {Surface electronic properties-driven electrocatalytic nitrogen reduction on metal-conjugated porphyrin 2D-MOFs}, journal = {ACS Applied Materials and Interfaces}, volume = {16}, year = {2024}, month = {FEB }, pages = {8707-8716}, type = {Article}, abstract = {

Two-dimensional (2D) metal organic framework (MOF) or metalloporphyrin nanosheets with a stable metal-N-4 complex unit present the metal as a single-atom catalyst dispersed in the 2D porphyrin framework. First-principles calculations on the 3d-transition metals in M-TCPP are investigated in this study for their surface-dependent electronic properties including work function and d-band center. Crystal orbital Hamiltonian population (-pCOHP) analysis highlights a higher contribution of the bonding state in the M-N bond and antibonding state in the N-N bond to be essential for N-N bond activation. A linear relationship between Delta G(max) and surface electronic properties, N-N bond strength, and Bader charge has been found to influence the rate-determining potential for nitrogen reduction reaction (NRR) in M-TCPP MOFs. 2D Ti-TCPP MOF, with a kinetic energy barrier of 1.43 eV in the final protonation step of enzymatic NRR, shows exclusive NRR selectivity over competing hydrogen reduction (HER) and nitrogenous compounds (NO and NO2). Thus, Ti-TCPP MOF with an NRR limiting potential of -0.35 V in water solvent is proposed as an attractive candidate for electrocatalytic NRR.

}, keywords = {Density Functional Theory (DFT), electrocatalytic nitrogen reductionreaction, kinetic energy barrier, limitingpotential, Metalloporphyrin, NRR selectivity}, issn = {1944-8244}, doi = {10.1021/acsami.3c16406}, author = {Maibam, Ashakiran and Orhan, Ibrahim B. and Krishnamurty, Sailaja and Russo, Salvy P. and BabaRao, Ravichandar} } @article {49401, title = {Surface-anchored PtNi alloy network over SiO2 (PtNi/SiO2): a versatile carbon-free cathode for proton exchange membrane fuel cells (PEMFCs)}, journal = {ACS Applied Engineering Materials}, volume = {2}, year = {2024}, month = {APR}, type = {Article}, abstract = {

The large-scale commercialization of the PEMFCs is hindered due to the high cost of the Pt-based electrocatalysts (Pt/C) and the low durability associated with the oxidation of the carbon support in Pt/C. Many Pt-based carbon-free electrocatalysts have been explored, exhibiting excellent stability and activity, but the performance is further expected to be improved by developing suitable Pt alloy catalysts based on the carbon-free supports. To explore this possibility, we have developed a PtNi/SiO2\ alloy system, which acts as a carbon-free electrocatalyst exhibiting enhanced activity for the oxygen reduction reaction (ORR). A half-cell study of PtNi/SiO2\ (45 wt\%) shows \~{}4.3 times higher ORR activity compared to the state-of-the-art Pt/C (40\%). The uniform distribution of the PtNi nanoparticles over SiO2\ is the crucial feature of the catalyst. PtNi/SiO2\ shows better durability even after 5000 cycles compared to the state-of-the-art Pt/C. The catalyst shows a negative shift in the half-wave potential (E1/2) by only 5 mV, which is lower than that of the 11 mV drop incurred by Pt/C. Considering this high activity of the PtNi/SiO2\ catalyst for the ORR, we tried to explore the possibility of demonstrating a single-cell PEMFC in the MEA by pairing the catalyst as the cathode along with the Pt/C as the anode. This paired configuration of the single cell is found to be providing promising performance by delivering a current density of 960 mA/cm2\ at 0.60 V and a maximum power density of 835 mW/cm2. Thus, this study outlines the possibility of developing potential alloy combinations of Pt on carbon-free substrates and then deploying them as electrodes for PEMFC applications. In the context of mitigating the carbon corrosion-related issues without compromising the intrinsic activities of the catalysts, the development of suitable alloy combinations on various carbon-free substrates is of significant technological advantages. The formation of the alloy phase along with the fine and uniform distribution of the alloy nanoparticles on the SiO2\ substrate, followed by its successful deployment as the cathode of a single cell, points toward the scope of exploring material developments in this direction.

}, doi = {https://doi.org/10.1021/acsaenm.4c00091}, author = {Kumar, Sachin and Yoyakki, Athira and Kurungot, Sreekumar} } @article {49387, title = {Sustainable bioprocess technology for producing food-flavour (+)-γ-decalactone from castor oil-derived ricinoleic acid using enzymatic activity of Candida parapsilosis: Scale-up optimization and purification using novel composite}, journal = {Journal of Biotechnology}, volume = {393}, year = {2024}, month = {SEP}, pages = {17-30}, type = {Article}, abstract = {

Ricinoleic acid (RA) from castor oil was employed in biotransformation of peach-flavoured gamma-decalactone (GDL), using a Candida parapsilosis strain (MTCC13027) which was isolated from waste of pineapple crown base. Using four variables-pH, cell density, amount of RA, and temperature-the biotransformation parameters were optimized using RSM and BBD. Under optimized conditions (pH 6, 10 \% of microbial cells, 10 g/L RA at 28 degrees C), the conversion was maximum and resulted to 80 \% (+)-GDL (4.4 g/L/120 h) yield in shake flask (500 mL). Furthermore, optimization was achieved by adjusting the aeration and agitation parameters in a 3 L bioreactor, which were then replicated in a 10 L bioreactor to accurately determine the amount of (+)-GDL. In bioreactor condition, 4.7 g/L (\>85 \%) of (+)-GDL is produced with 20 \% and 40 \% dissolved oxygen (1.0 vvm) at 150 rpm in 72 h and 66 h, respectively. Further, a new Al-Mg-Ca-Si composite column-chromatography method is developed to purify enantiospecific (+)-GDL (99.9 \%). This (+)-GDL is 100 \% nature-identical as validated through 14C-radio-carbon dating. Thorough chemical investigation of enantiospecific (+)-GDL is authenticated for its use as flavour. This bioflavour has been developed through a cost-effective biotechnological process in response to the demand from the food industry on commercial scale.

}, keywords = {(+)-gamma-Decalactone, Al-Mg-Ca-Si composite, Bioflavour, Candida parapsilosis, castor oil, Food-waste}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2024.07.011}, author = {Syed, Naziya and Singh, Suman and Chaturvedi, Shivani and Kumar, Prashant and Kumar, Deepak and Jain, Abhinav and Sharma, Praveen Kumar and Nannaware, Ashween Deepak and Chanotiya, Chandan Singh and Bhambure, Rahul and Kumar, Pankaj and Kalra, Alok and Rout, Prasant Kumar} } @article {49321, title = {SWATH-MS reveals that bisphenol A and its analogs regulate pathways leading to disruption in insulin signaling and fatty acid metabolism}, journal = {Food and Chemical Toxicology}, volume = {188}, year = {2024}, month = {JUN}, pages = {114667}, type = {Article}, abstract = {

Bisphenol A (BPA) is an endocrine-disrupting chemical (EDC), associated with obesity and insulin resistance. The FDA prohibited the use of BPA-based polycarbonate resins in infant formula packaging; thus, its analogs, viz. Bisphenol S (BPS) and Bisphenol F (BPF) were considered alternatives in epoxy resins, plastics, and food cans. As these analogs might evoke a similar response, we investigated the role of Bisphenols (BPA, BPF, and BPS), on insulin signaling in CHO-HIRc-myc-GLUT4eGFP cells at environmentally relevant concentrations of 2 nM and 200 nM. Insulin signaling demonstrated that Bisphenols reduced phosphorylation of IR and AKT2, GLUT4 translocation, and glucose uptake. This was accompanied by increased oxidative stress. Furthermore, SWATHMS-based proteomics of 3T3-L1 cells demonstrated that Bisphenol-treated cells regulate proteins in insulin resistance, adipogenesis, and fatty acid metabolism pathways differently. All three Bisphenols induced differentially expressed proteins enriched similar pathways, although their abundance differed for each Bisphenol. This might be due to their varying toxicity level, structural differences, and estrogen-mimetic activity. This study has important implications in addressing health concerns related to EDCs. Given that the analogs of BPA are considered alternatives to BPA, the findings of this study suggest they are equally potent in altering fatty acid metabolism and inducing insulin resistance.

}, keywords = {Bisphenols, Estrogen, Lipid droplet, Mitochondrial beta-oxidation, Oxidative stress, PPAR gamma}, issn = {0278-6915}, doi = {10.1016/j.fct.2024.114667}, author = {Kulsange, Shabda E. and Sharma, Monika and Sonawane, Babasaheb and Jaiswal, Meera R. and Kulkarni, Mahesh J. and Santhakumari, B.} } @article {49246, title = {Switchable molecular electrocatalysis}, journal = {CHEMICAL SCIENCE}, volume = {15}, year = {2024}, month = {AUG }, pages = {13262-13270}, type = {Journal Article}, keywords = {CO2 reduction, COBALT PHTHALOCYANINE, NANOPOROUS GOLD, oxygen reduction}, issn = {2041-6520}, doi = {10.1039/d4sc01284d}, author = {Dutt, Shifali and Kottaichamy, Alagar Raja and Dargily, Neethu Christudas and Mukhopadhyay, Sanchayita and Nayak, Bhojkumar and Devendrachari, Mruthyunjayachari Chattanhali and Vinod, Chatakudhath Prabakaran and Kotresh, Harish Makri Nimbegondi and Thotiyl, Musthafa Ottakam} } @article {49424, title = {Synergistic combination of ZnCl2/Cu-BTC MOF for the photocatalytic oxidative deamination of benzylamines using CO2 under visible-light irradiation}, journal = {ACS Applied Engineering Materials}, volume = {2}, year = {2024}, month = {JUL}, pages = {2095{\textendash}2101}, type = {Article}, abstract = {

This paper demonstrates the first CO2-mediated oxidative deamination of benzylamines to benzaldehydes using a combination of ZnCl2\ and Cu-BTC MOF as photocatalysts in a carbon tetrachloride solvent under visible-light irradiation. Interestingly, the synergistic combination of ZnCl2\ and Cu-BTC afforded the targeted oxidation of benzylamine to benzaldehyde, wherein CO2\ acted as an oxidant. The individual components yielded the corresponding imine as the main product, resulting from the oxidative coupling of the benzylamine. DFT calculations and computational studies supported the proposed reaction pathways involving the formation of an intermediate imine from benzylamine via dehydrogenation followed by hydrolysis to produce benzaldehyde. This work, demonstrating the use of CO2\ as an oxidant, may open up new avenues for CO2\ utilization in chemical production by using sustainable light energy.

}, doi = {https://doi.org/10.1021/acsaenm.4c00251}, author = {Kumar, Amod and Bhatt, Sakshi and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Jain, Suman L.} } @article {49340, title = {Synergistic effect of lactam and pyridine nitrogen on polysulfide chemisorption and electrocatalysis in lithium sulfur batteries}, journal = {ACS APPLIED MATERIALS \& INTERFACES}, volume = {16}, year = {2024}, month = {AUG }, pages = {42059-42068}, keywords = {Li-S battery, phenyl-diketopyrrolopyrrole, pyridine-diketopyrrolopyrrole}, issn = {1944-8244}, doi = {10.1021/acsami.4c05128}, author = {Javaregowda, Bharathkumar H. and Kargude, Radhakisan and Birajdar, Sarika and Shivankar, Bhavana and Krishnamurty, Sailaja and Jones, Lathe A. and Caruso, Rachel A. and Krishnamoorthy, Kothandam} } @article {49334, title = {Synergistic effects of the substrate-ligand interaction in metal-organic complexes on the de-electronation kinetics of a vitamin C fuel cell}, journal = {Dalton Transactions}, volume = {53}, year = {2024}, month = {AUG }, pages = {13384-13393}, type = {Article}, abstract = {

The rising demand for portable energy conversion devices has spurred the advancement of direct liquid fuel cells (DLFCs) employing fuels such as alcohol, ammonia, hydrazine, and vitamin C. In these devices, various precious metal platforms have been explored to increase the de-electronation kinetics and reduce catalyst poisoning, but with substantial cost implications. We demonstrate the crucial role of ligands in non-precious organometallic complexes in influencing the de-electronation kinetics of fuel molecules through a unique substrate-ligand synergistic interaction. This unique chemistry imparts electron deficiency at the catalytic metal center while simultaneously populating the ligand with an extensive proton charge assembly. This distinct substrate-ligand interaction enhances the DLFC performance by coulombically dragging the substrate with a distinct amplification in its de-electronation kinetics. By integrating this approach with a ferricyanide/ferrocyanide half-cell reaction, a precious metal-free vitamin C fuel cell is developed, which is capable of generating an open circuit voltage of similar to 950 mV, a peak power density of similar to 97 mW cm-2 at a peak current density of similar to 215 mA cm-2 with the performance metrics nearly 1.7 times higher than a precious metal based DLFC. This highlights the potential of the substrate-ligand synergy in the design of efficient molecular catalysts for energy conversion applications. A precious metal-free biomass fuel cell through substrate-ligand interactions.

}, issn = {1477-9226}, doi = {10.1039/d4dt01370k}, author = {Parmar, Muskan and Mukhopadhyay, Sanchayita and Mondal, Ritwik and Nayak, Bhojkumar and Dargily, Neethu Christudas and Kotresh, Harish Makri Nimbegondi and Vinod, Chathakudath Prabhakaran and Ottakam Thotiyl, Musthafa} } @article {49207, title = {Synergistic humidity-responsive mechanical motion and proton conductivity in a cationic covalent organic framework}, journal = {CHEM}, volume = {10}, year = {2024}, month = {AUG }, type = {Journal Article}, keywords = {ACTUATORS, Crystalline, DRIVEN, SOFT}, issn = {2451-9294}, doi = {10.1016/j.chempr.2024.04.018}, author = {Das, Gobinda and Shinde, Dhanraj B. and Melapurakkal, Amrutha and Shelke, V, Manjusha and Garai, Bikash and Bazin, Philippe and Blal, Abdelhafid Ait and Benyettou, Farah and Prakasam, Thirumurugan and Halim, Rasha Abdul and Ibrahim, Fayrouzabou and Sharma, Sudhir Kumar and Varghese, Sabu and Weston, James and Jagannathan, Ramesh and Addicoat, Matthew A. and Gandara, Felipe and Olson, Mark A. and El-Roz, Mohamad and Trabolsi, Ali} } @article {48983, title = {Synthesis and antimicrobial evaluation of novel 2{\textquoteright}-aryl-4-aryl-2,4{\textquoteright}-Bisthiazole and 2{\textquoteright}-aryl-4-Pyridyl-2,4{\textquoteright}-bisthiazole derivatives as potential antibacterial agents}, journal = {Polycyclic Aromatic Compound }, volume = {44}, year = {2024}, month = {FEB }, pages = {773-787}, type = {Article}, abstract = {

In continuation of our research work to explore bisthiazole derivatives as potential antimicrobial agents, herein we reported the synthesis of a series of novel 2{\textquoteright}-aryl-4-aryl-2,4{\textquoteright}-bisthiazole (7a-t) and 2{\textquoteright}-aryl-4-pyridyl-2,4{\textquoteright}-bisthiazole (9a-l) by cyclocondensation of 2-aryl thiazole-4-carbothioamide 5a-d with 2-bromo-1-arylethanone (6a-e) and bromo-1-(pyridin-2/3/4-yl)ethanone (8a-c), respectively. These novel candidates were evaluated in vitro for their antibacterial potential against four pathogenic bacteria, Escherichia coli (NCIM 2576), Pseudomonas flurescence (NCIM 2059), Staphylococcus aureus (NCIM 2602), and Bacillus subtilis (NCIM 2162). The synthesized compounds were also screened for their in vitro antifungal activity against Candida albicans (NCIM 3100). Among them, compounds 7b, 9d, 9 g, 9i, and 9 l exhibited excellent antibacterial activity with MIC 2.1 to 12.3 mu g/mL against all tested strains. Most of the compounds reported moderate antifungal activity. The pyridine ring-substituted bisthiazole reported good to excellent antibacterial activity as compared to phenyl ring-substituted bisthiazole. The potential antibacterial activity suggested that bisthiazole derivatives could assist in the development of lead compounds to treat microbial infections.

}, keywords = {24{\textquoteright}-bisthiazole, antibacterial activity, Antifungal activity, cyclocondensation}, issn = {1040-6638}, doi = {10.1080/10406638.2023.2180524}, author = {Nalawade, Jitendra and Shinde, Abhijit and Abhale, Yogita K. and Nandurkar, Yogesh and Bobade, Vivek D. and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {49287, title = {Synthesis and film formation of aqueous emulsion polymer latexes featuring hydrogen bonding via a janus guanine-cytosine base monomer}, journal = {ACS APPLIED POLYMER MATERIALS}, volume = {6}, year = {2024}, month = {MAY }, pages = {6495-6507}, type = {Journal Article}, keywords = {Emulsion polymerization, Film formation, Hydrogenbonding, Supramolecular networks}, issn = {2637-6105}, doi = {10.1021/acsapm.4c00738}, author = {Thompson, Steven W. and Li, Joanna and Singh, Dharmendra and Sanjayan, Gangadhar J. and Zetterlund, Per B.} } @article {49328, title = {Synthesis and processing strategy for high-bandgap PbS quantum dots: a promising candidate for harvesting high-energy photons in solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {16}, year = {2024}, month = {AUG }, pages = {42522-42533}, type = {Article}, abstract = {

The wide tunability of the energy bandgap of colloidal lead sulfide (PbS) quantum dots (QDs) has uniquely positioned them for the development of single junction and tandem solar cells. While there have been substantial advancements in moderate and narrow bandgap PbS QDs-ideal for single junction solar cells and the bottom cell in tandem solar cells, respectively; progress has been limited in high-bandgap PbS QDs that are ideally suited for the formation of the top cell in tandem solar cells. The development of appropriate high bandgap PbS QDs would be a major advancement toward realizing efficient all-QD tandem solar cells utilizing different sizes of PbS QDs. Here, we report a comprehensive approach encompassing synthetic strategy, ligand engineering, and hole transport layer (HTL) modification to implement high-bandgap PbS QDs into solar cell devices. We achieved a greater degree of size homogeneity in high-bandgap PbS QDs through the use of a growth retarding agent and a partial passivation strategy. By adjusting the ligand polarity, we successfully grow HTL over the QD film to fabricate solar cells. With the aid of an interface modifying layer, we incorporated an organic HTL for the realization of high-performance solar cells. These solar cells exhibited an impressive open-circuit voltage of 0.824 V and a power conversion efficiency of 10.7\%, marking a 360\% improvement over previous results.

}, keywords = {charge transport, lead sulfide, ligand passivation, quantum dots, solar cell}, issn = {1944-8244}, doi = {10.1021/acsami.4c09364}, author = {Shinde, Dipak Dattatray and Sharma, Anjali and Dambhare, Neha V. and Mahajan, Chandan and Biswas, Arindam and Mitra, Anurag and Rath, Arup K.} } @article {49416, title = {Synthesis, characterization, and crystal structure of 2-(2-azido-phen-yl)-3-oxo-3H-indole 1-oxide}, journal = {Acta Crystallographica Section E Crystallographic Communications}, volume = {80}, year = {2024}, month = {MAR}, pages = {310-313}, abstract = {
An attempt to explore the reactivity of the nitro group in the presence of gold catalysis in comparison to the azide group yielded intriguing results. Surprisingly, only the nitro group exhibited reactivity, ultimately giving rise to the formation of the title isatogen.
An attempt to explore the reactivity of the nitro group in the presence of gold catalysis in comparison to the azide group yielded intriguing results. Surprisingly, only the nitro group exhibited reactivity, ultimately giving rise to the formation of the title isatogen, C14H8N4O2. In the crystal structure, weak C{\textemdash}H...O hydrogen bonds and π{\textendash}π stacking inter-actions link the mol-ecules. The structure exhibits disorder of the mol-ecule.

}, doi = {https://doi.org/10.1107/S2056989024001440}, author = {Dhote, Pawan and Tothadi, Srinu and Ramana, Chepuri V. and Chopra, D.} } @article {49018, title = {Synthesis, crystal growth, physicochemical study of 1,3-dihexyl-2-me-thyl-1H-benzo[d]imidazol-3-ium bromide and in silico nonlinear optical property determination}, journal = {Journal of Molecular Structure}, volume = {1307}, year = {2024}, month = {JUL }, type = {Article}, abstract = {

This study encompasses the synthesis and characterization of 1,3-dihexyl-2-methyl-1H-benzo[d]imidazol-3-ium bromide (DHBIB) using techniques such as NMR, IR, and HRMS. The study also explores the influence of different solvents, specifically water and acetonitrile, on the growth of single crystals. An intriguing observation is the transformation of crystal packing from orthorhombic to monoclinic when solvent conditions change, illustrating the pivotal role of the cation in controlling the crystal structure of DHBIB salts. The analysis of its electronic properties reveal a deep -lying LUMO (-3.73 eV), suggesting DHBIB{\textquoteright}s electron -accepting characteristics. Furthermore, the study records absorption maxima ( lambda max ) at 279 nm and 282 nm in various solvents, demonstrating that DHBIB lacks absorption in the visible range (400-800 nm), making it promising for non-linear optical (NLO) applications. Analysis of the natural bond orbital (NBO) stabilization energies 50.87, 42.12, and 45.33 kcal/mol along pi(C3-C4) -\> pi*(C6-C8), pi(C3-C4) -\> pi*(C10-C12), and pi (C10-C12) -\> pi*(C6-C8) reveal a preference for intramolecular charge transfer in DHBIB. Enhanced first and second -order hyperpolarizabilities ( beta ; 13.47x10 -30 esu, gamma ; 75.36x10 - 36 esu) compared to benzimidazole and benzimidazolium salicylate salt further supports its potential for NLO applications.

}, keywords = {DHBIB, Hyperpolarizability, Monoclinic, NBO, Orthorhombic}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2024.137956}, author = {Siddiqui, Zahir Ali and Gamidi, Rama Krishna and Sekar, Nagaiyan and More, Sandeep} } @article {49626, title = {Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-meth--oxy-phen-yl)picolinamide}, journal = {Acta Crystallographica Section E: Crystallographic Communications}, volume = {80}, year = {2024}, month = {DEC}, pages = {1293-1297}, type = {Article}, abstract = {

The synthesis,\ crystal structure,\ and Hirshfeld surface analysis of\ N-(4-meth-oxy-phen-yl)picolinamide (MPPA), C13H12N2O2, are presented. MPPA crystallizes in the monoclinic\ space groupP21/n, with a single mol-ecule in the\ asymmetric unit.\ Structural analysis reveals that all non-hydrogen atoms are nearly coplanar, and the mol-ecule exhibits two intra-molecular hydrogen bonds that stabilize its conformation. Supra-molecular features include significant inter-molecular inter-actions, primarily C{\textemdash}H...π\ and various hydrogen bonds, contributing to the overall crystal cohesion, as confirmed by energy framework calculations yielding a total inter-action energy of -138.3 kJ mol-1. Hirshfeld surface analysis indicates that H...H inter-actions dominate, followed by C...H and O...H inter-actions, highlighting the role of\ van der Waals forces\ and hydrogen bonding in crystal packing.

}, doi = {https://doi.org/10.1107/S2056989024010843}, author = {Burieva, Dilnoza and Torambetov, Batirbay and Bobonazarova, Sarvinoz and Abdushukurov, Anvar and Kholikov, Tursinali and Khan, Akram A and Ashurov, Jamshid and Yusufov, Mukhriddin} } @article {49277, title = {Synthesis of benzofuran-6-carboxylic acid, an intermediate of lifitegrast with low-carbon footprints}, journal = {ACS SUSTAINABLE CHEMISTRY \& ENGINEERING}, volume = {12}, year = {2024}, month = {OCT}, pages = {15671-15681}, type = {Journal Article}, keywords = {benzofuran-6-carboxylicacid, dry eye disease, life cycle, lifitegrast, process development}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.4c06361}, author = {Zade, Vishal M. and Athawale, Paresh R. and Kopperi, Harishankar and Mohan, S. Venkata and Reddy, D. Srinivasa} } @article {49211, title = {Synthesis of Hofmann-based metal-organic frameworks incorporating a bis-pyrazole linker for various gas separations}, journal = {JOURNAL OF MATERIALS CHEMISTRY A}, volume = {12}, year = {2024}, month = {JUN 25}, pages = {15106-15114}, type = {Journal Article}, keywords = {acetylene, C2H2/CH4, Ni, Purification, SPIN-CROSSOVER BEHAVIOR}, issn = {2050-7488}, doi = {10.1039/d4ta00507d}, author = {Matthews, Brooke L. and Harvey-Reid, Nathan C. and Jangodaz, Elnaz and Scott, Victoria-Jayne and Polson, Matthew I. J. and Maibam, Ashakiran and BabaRao, Ravichandar and Telfer, Shane G. and Kruger, Paul E.} } @article {49649, title = {Synthesis of imine-phenoxy ligated palladium complexes for norbornene homopolymerization}, journal = {Inorganic Chemistry}, volume = {64}, year = {2024}, month = {DEC }, pages = {25-36}, type = {Article}, abstract = {

Metal complexes with tunable ligands play a crucial role in olefin polymerization and impart control over molecular weight, crystallinity, and stereoregularity. We report the single-step synthesis of imine-phenoxy ligands in excellent yields (81-93\%). The identity of electronically tuned imine-phenoxy ligands was unambiguously ascertained by using a combination of spectroscopic and analytical methods. These ligands were treated with [Pd(COD)MeCl] in the presence of 2,6-lutidine, resulting in the formation of discrete mononuclear palladium complexes Pd1-Pd4 in excellent yields. 1-2D NMR spectroscopy, mass spectrometry analysis, and single-crystal X-ray diffraction confirmed the identity of the palladium complexes. X-ray analysis revealed a distorted square planar geometry around the palladium center. Proton NMR analysis suggested that the Pd1 catalyst was deshielded, indicating electronically deficient palladium metal compared to the other complexes. Moreover, the Pd1 catalyst showed the highest buried volume percentage (\%Vbur = 44.9). When exposed to norbornene, Pd1-Pd4 were found to be active and produced poly(norbornene) (PNB). High-temperature SEC analysis revealed that the electronically deficient and sterically hindered Pd1 catalyst produced the highest molecular weight polymer (PNB 37.4 kDa). Boron and aluminum-based cocatalysts were screened, and MMAO was found to outperform others with high catalytic activity (up to 63.2 x 105 g of PNB (mol Pd)-1 h-1).

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.4c04117}, author = {Birajdar, Rajkumar S. and Gupta, Poonam and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {49397, title = {Synthesis of pyrazole and 1,3,4-oxadiazole derivatives of pharmaceutical potential}, journal = {Prospects in Pharmaceutical Sciences}, volume = {22}, year = {2024}, month = {Aug}, pages = {127{\textendash}135}, abstract = {

Heterocyclic compounds are important molecules that serve as scaffolds or linkers for the core structure of numerous drug substances. In particular, pyrazole and 1,3,4-oxadiazole are compounds of great interest due to their comprehensive biological activities and interesting structural features. Here, we described an efficient and economical synthetic route leading to\ N-phenyl substituted pyrazole and 1,3,4-oxadiazole derivatives. Retrosynthetic disconnective analysis showed that the\ N-phenyl substituted pyrazole can be obtained from chalcone, accessible from the respective aldehyde, and acetophenone. The disubstituted 1,3,4-oxadiazole can be constructed from the respective aldehyde, which originates from pyrrole-containing compound, and formyl chloride. Based on our retrosynthetic analysis,\ N-phenyl substituted pyrazole was obtained by cyclization of the respective chalcone with phenylhydrazine to give pyrazoline which was in turn converted into pyrazole by oxidative aromatization. Potassium carbonate and a catalytic amount of molecular iodine were used to oxidatively cyclize semicarbazones into 1,3,4-oxadiazoles in a transition metal-free process. Novel pyrazole and 1,3,4-oxadiazoles with potential biological activity are investigated as antituberculosis, anticonvulsant, antidiabetic, anticancer, and tyrosinase inhibitory agents.

}, doi = {10.56782/pps.235}, url = {https://prospects.wum.edu.pl/index.php/pps/article/view/235}, author = {Kadam, Mayur and Jadhao, Nitin L. and Gajbhiye, Jayant M.} } @article {49646, title = { Synthesis of quinazolinone based spirocyclopropanes via [3?+?2] cycloaddition reaction: in silico anti-tubercular molecular docking studies and ADME prediction}, journal = {Polycyclic Aromatic Compounds}, volume = {44}, year = {2024}, month = {SEP}, type = {Article}, abstract = {

A highly efficient cascade annulation approach is developed for the synthesis of novel quinazolinone-based spirocyclopropanes\ via\ three-component [3 + 2] cycloaddition reaction with aldehydes, tosylhydrazide and quinazolinyl chalcones. The reaction features the formation of two C{\textendash}C bonds and three stereogenic centers. A variety of highly functionalized spirocyclopropyl quinazolinones were obtained in good yields under mild reaction conditions. Furthermore,\ in silico\ anti-tubercular (anti-TB) molecular docking studies were performed for the generated compounds against three Mycobacterium tuberculosis proteins with PDBID: 1DF7, 1P44 and 4TZK. ADME prediction were evaluated for the drug like properties of the synthesized compounds.

}, doi = {https://doi.org/10.1080/10406638.2023.2257838}, author = {Allaka, Bhargava Sai and Kanchrana, Madhu and Gamidi, Rama Krishna and Basavoju, Srinivas} } @article {49304, title = {Synthesis of tetracyclic benzoxazolo-indol-3-ones from isatogens and arynes through a [3+2]-cycloaddition and skeletal reorganization}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {OCT }, pages = {14919-14928}, type = {Article}, abstract = {

The construction of an unprecedented tetracyclic benzoxazolo-indol-3-one scaffold has been executed through the [3 + 2]-cycloaddition of isatogens with arynes. The initially formed benzisoxazolo-indol-3-one intermediate undergoes a skeletal reorganization through a 1,3-sigmatropic shift/retro-Mannich reaction with the net formation of one C-N and two C-O bonds. The Lewis acid-catalyzed allylation of some of the resulting benzoxazolo-indol-3-ones resulted in oxazepino-indolones with promising photophysical properties.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c01667}, author = {Halnor, Swapnil V. and Singh, Maneesha and Dhote, Pawan S. and Ramana, Chepuri V.} } @article {49248, title = {Synthesis of Ti1-xWx solid solution MAX phases and derived MXenes for sodium-ion battery anodes}, journal = {ADVANCED FUNCTIONAL MATERIALS}, volume = {34}, year = {2024}, month = {OCT}, type = {Journal Article}, keywords = {Behavior, CARBIDE MXENE, INTERCALATION MECHANISM, TI}, issn = {1616-301X}, doi = {10.1002/adfm.202406499}, author = {Ratzker, Barak and Favelukis, Bar and Baranov, Mark and Rathod, Yugal and Greenberg, Avia and Messer, Or and Goldstein, Dor A. and Upcher, Alexander and Ezersky, Vladimir and Maman, Nitzan and Biran, Ido and Natu, Varun and Sokol, Maxim} } @article {49378, title = {Synthesized novel chromogenic reagent and sensor: detection and identification of dichlorvos}, journal = {Heliyon}, volume = {10}, year = {2024}, month = {MAY}, pages = {e31217}, type = {Article}, abstract = {

We developed a novel chromogenic reagent and sensor by selective approach, for the detection and identification of dichlorvos, which we tested with the thin layer chromatography method. For the first time, we reported in situ-generated glyoxal as a hydrolysis product, which then interacts with isoniazid to produce a yellow-colored cyclic compound. We used well-known spectroscopic techniques to confirm the chemical identity of the final product. We initially investigated the reaction using a variety of approaches, followed by attempts to establish the reaction mechanism using Density Functional Theory by Gaussian software.

}, keywords = {DFT analysis, Dichlorvos, Gloyxal, Hydrazone, Isoniazid}, doi = {10.1016/j.heliyon.2024.e31217}, author = {Gedam, Ashwin D. and Katiya, Manish M. and Dhonde, Madhukar G. and Ganorkar, Kapil S. and Thakare, Vijay J. and Mandlik, Prashant R. and Jadhao, Nitin L. and Gajbhiye, Jayant M. and Kumar, Ravi and Vaval, Nayana} } @article {49063, title = {Synthetic layered double hydroxide on biodegradable support: an efficient adsorbent for defluoridation of water}, journal = {Indian Journal of Chemical Technology }, volume = {31}, year = {2024}, month = {JAN}, pages = {152-161}, type = {Article}, abstract = {

Fluoride concentrations in drinking water above permissible levels and incidences of fluorosis among people have been reported from many parts of the world including India. Low-cost and biodegradable adsorbents are the preferred choice for the removal of fluoride from an aqueous medium. In the present study, zinc-aluminium layered double hydroxide (LDH) supported on sugarcane bagasse (raw and acid-treated) has been synthesized, characterized, and investigated for the defluoridation of water. The SEM micrographs of the supported adsorbents show good dispersion of the LDH particles on the support material. The defluoridation capacity of the LDH is enhanced by supporting it on bagasse. The adsorption capacity of supported adsorbents increased by 3-fold than the unsupported LDH adsorbent. The adsorption data have been well fitted to the Freundlich isotherm model indicating physical and multi-layer adsorption. The maximum fluoride adsorption capacity has been found to be 8.85 mg/g with 76.3\% fluoride removal when the initial fluoride concentration is 11-12 mg/L. The pseudo-second-order kinetic model has been found suitable to explain the fluoride adsorption kinetics on the supported LDH adsorbents. The present study reveals that the bagasse-supported LDH adsorbent has a high potential for defluoridation of water.

}, keywords = {adsorption kinetics, Fluoride adsorption, Layered double hydroxide, Sugarcane bagasse}, issn = {0971-457X}, doi = {10.56042/ijct.v31i1.7611}, author = {Mayadevi, S. and Kirandas, M. D. and Manilal, A. M. and Roshini, N. and Mandal, Sujata} } @article {49631, title = {Systemic review on fitness and survival of salmonella in dynamic environment and conceivable ways of its mitigation}, journal = {Indian Journal of Microbiology}, volume = {64}, year = {2024}, month = {JUN}, pages = {267-286}, type = {Review}, abstract = {

Gastroenteritis caused by non-typhoidal Salmonella still prevails resulting in several recent outbreaks affecting many people worldwide. The presence of invasive non-typhoidal Salmonella is exemplified by several characteristic symptoms and their severity relies on prominent risk factors. The persistence of this pathogen can be attributed to its broad host range, complex pathogenicity and virulence and adeptness in survival under challenging conditions inside the host. Moreover, a peculiar aid of the ever-changing climatic conditions grants this organism with remarkable potential to survive within the environment. Abusive use of antibiotics for the treatment of gastroenteritis has led to the emergence of multiple drug resistance, making the infections difficult to treat. This review emphasizes the importance of early detection of Salmonella, along with strategies for accomplishing it, as well as exploring alternative treatment approaches. The exceptional characteristics exhibited by Salmonella, like strategies of infection, persistence, and survival parallelly with multiple drug resistance, make this pathogen a prominent concern to human health.

}, keywords = {Antibiotic resistance, Gastroenteritis, Non-typhoidal Salmonella, pathogenesis, Plant-derived metabolites, Salmonella pathogenicity islands, Type III secretion system}, issn = {0046-8991}, doi = {10.1007/s12088-023-01176-4}, author = {Sutar, Ajit A. and Dashpute, Rohit S. and Shinde, Yashodhara D. and Mukherjee, Srestha and Chowdhury, Chiranjit} } @article {49575, title = {SANS and SAXS investigation of the melt state structure in disentangled ultrahigh molecular weight polyethylene}, journal = {ACS Macro Letters}, volume = {14}, year = {2025}, month = {MAR}, pages = {349-353}, type = {Article}, abstract = {

Disentangled ultrahigh molecular weight polyethylene exhibits a time-dependent increase in rheology modulus when molten. This originates from its kinetically evolving heterogeneous microstructure consisting of disentangled and entangled regions. We report a quantitative analysis of this microstructure using X-rays and neutrons that capture the signatures of these regions. We analyze the absolute intensities to obtain the volume fraction and size distribution of the disentangled domains in the melt. Employing neutrons, we follow the changes in these parameters with time. The trends are qualitatively similar to those of the previous rheological observations. Our methodology also provides an experimental verification of the theoretical report by McLeish, T. C. B. Soft Matter 2007, 3 (1), 83-87, which predicts the presence of high density disentangled domains in a low density entangled matrix. The analysis presented here is a useful instrument for unveiling the origin of differences in the properties of polymers obtained through different processing routes.

}, doi = {10.1021/acsmacrolett.5c00100}, author = {Sharma, Aakash and Kruteva, Margarita and Willner, Lutz and Romano, Dario and Porcar, Lionel and Dulle, Martin and Zhou, Fuhai and Rastogi, Sanjay and Richter, Dieter} } @article {49723, title = {Scalable and sustainable reductive amidation of nitroarenes, nitroalkenes, and nitroalkyls with acyl saccharins in aqueous media}, journal = {Communications Chemistry}, volume = {8}, year = {2025}, month = {JUN}, pages = {184}, type = {Article}, abstract = {

Amide bond formation is essential in both organic and medicinal chemistry, however, most existing methods present poor ecological efficiency. Here, we report a scalable and sustainable method for synthesizing N-substituted amides from nitroarenes, nitroalkenes, nitroalkyls, and acyl saccharin in aqueous media. This atom-efficient approach avoids column chromatography, offers high yield, and is compatible with various functional groups. It is applicable to synthesize Dispyrin, a bromopyrrole alkaloid, amide-based drugs, and agrochemicals, including paracetamol, with solvent and saccharin recycling. A comprehensive Life Cycle Assessment (LCA; ISO 14044) was conducted to evaluate the environmental impacts and sustainability of nine Active Pharmaceutical Ingredients (APIs) produced via Amidation Route (AR) and Saccharin Amidation Route (SAR). The study shows SAR methods reduce carbon footprints and environmental impacts compared to AR methods, being carbon-negative and resource-efficient. Additional reductions can be achieved through saccharin recycling and the integration of renewable energy sources, demonstrating saccharin-based processes potential to minimize environmental burdens in pharmaceutical synthesis.

}, issn = {2399-3669}, doi = {10.1038/s42004-025-01464-8}, author = {Khamkar, Sunil L. and Mohan, Rayala and Santhosh, J. and Shinde, Harish M. and Handore, Kishor L. and Mohan, S. Venkata and Reddy, D. Srinivasa} } @article {49784, title = {Selective anodic transformation of glycerol with ZnCo 2 O 4 2D nanoplates: sustainable coproduction of carbon-negative green hydrogen and formic acid}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {13}, year = {2025}, month = {JUL }, pages = {11458-11473}, type = {Article}, abstract = {

In the pursuit of sustainable green hydrogen production, the electrooxidation of abundantly available carbon-containing molecules at a significantly low voltage presents a promising pathway, helping to reduce the cost of hydrogen generation while simultaneously yielding value-added chemicals/fuels. In the current study, we report the template-free green synthesis of ZnCo2O4 directly on Ni-foam (NF), demonstrating anodic stability and bifunctional electrocatalytic activity toward alkaline (1 M KOH) glycerol oxidation over an extended duration of 230 h at 50 mA cm- 2. The catalyst{\textquoteright}s high electrochemical surface area contributes to its remarkable performance, enabling sustained high current density. Compared with monometallic (ZnO or Co3O4) oxides, ZnCo2O4 oxide reveals superior catalytic performance. The two-electrode electrolyzer setup (ZnCo2O4 oxide/NF || ZnCo2O4 oxide/NF) operates at a significantly low cell potential of 1.9 V to achieve 100 mA cm- 2 in 0.2 M glycerol, which is 180 mV lower than that of conventional 1 M KOH solution. The three-electrode setup achieved 1 A/cm2 current density at 1.907 V vs RHE. Both anodic and cathodic processes exhibit high Faradaic efficiency, achieving 98\% efficiency for H2 and 90\% selectivity toward formate generation, along with significant methanol production. This demonstrates efficient C-C bond cleavage capability with glycerol to predominantly C1-products. The electrocatalytic formate production from alkaline glycerol using ZnCo2O4 offers an energy-efficient pathway, facilitating carbon-negative green hydrogen generation, thus contributing to a cleaner and sustainable energy landscape.

}, keywords = {energy conversion, Formic acid, glyceroloxidation, green H-2, water electrolysis}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.5c03558}, author = {Saha, Arindam and Murugiah, Vasantharadevi and Kollenteakathootu, Jayalakshmi and Gopinath, Chinnakonda S.} } @article {49798, title = {Selective hydrogenation of furfural to furfuryl alcohol over Pd supported on ternary oxide in aqueous medium under mild conditions}, journal = {ChemCatChem}, volume = {17}, year = {2025}, month = {AUG}, type = {Article}, abstract = {

We report palladium (Pd) supported on a mixed CuO/ZnO/Al2O3 catalyst for the synthesis of furfuryl alcohol (FA) from furfural (FF) using hydrogen under near atmospheric pressure (balloon pressure) conditions. A systematic study of various metal oxide combinations revealed that the best support for Pd nanoparticles is a CuO/ZnO/Al2O3 mixed system, which results in excellent catalytic performance. A series of control experiments highlighted the essential role of mixed Cu-Zn-Al oxide support in facilitating the adsorption and activation of FF. Our results demonstrate that under optimal conditions (40 degrees C, balloon pressure H2), the catalyst yields FF conversion exceeding 98\%, with remarkable selectivity for FA reaching up to 99\% with water as solvent. The catalyst exhibited almost comparable activity up to three catalytic cycles without extra catalyst treatment or reactivation with negligible Pd leaching. These findings shed insight into the design of mixed metal oxide-based support for active metal interactions in optimizing catalytic performance in furfural hydrogenation under mild conditions.

}, keywords = {Biomass conversion, Furfural hydrogenation, Furfuryl alcohol, mixed metal oxides, Pd catalyst}, issn = {1867-3880}, doi = {10.1002/cctc.202402092}, author = {Nehra, Pooja and Betsy, K. J. and Vinod, C. P.} } @article {49531, title = {Self-supported super-hydrophilic interconnected nanospikes and particles of MoS2-Ni3S2/NF with optimum d-band center for anion exchange membrane water electrolyzer}, journal = {Advanced Sustainable Systems}, volume = {9}, year = {2025}, month = {MAR}, type = {Article}, abstract = {

There is an imperative need for highly efficient electrocatalysts for cost-effective hydrogen production. Herein, a self-supported, hybrid composite as a bifunctional electrocatalyst is introduced. This is achieved by in situ growth of MoS2-Ni3S2 on nickel foam (NF), designated as MoS2-Ni3S2/NF, synthesized by a facile one-step hydrothermal synthesis method. MoS2-Ni3S2/NF exhibits low overpotentials of only 187 and 146 mV for OER and HER, respectively, to achieve a current density of 10 mA cm-2 in 1 M KOH. The practical application of the designed bifunctional electrocatalyst is verified by constructing the MoS2-Ni3S2/NF || MoS2-Ni3S2/NF symmetrical membrane electrode assembly (MEA) of 4 cm2 working area for the anion exchange membrane water electrolyzer. The system shows continuous electrolysis for the monitored 48 h duration. For OER, an optimum d-band center of -1.66 eV for the heterostructure is calculated from the Density Functional Theory (DFT) studies. The factors like the unique structure of the electrocatalyst, enhanced hydrophilicity, improved electrochemically accessible number of sites (ECASs), and optimum d-band center, are expected to be the primary contributors to the system{\textquoteright}s improved performance. Thus, the present finding unveils a straightforward synthesis approach for creating a stable electrocatalyst for advancing commercial water electrolysis in the realm of renewable electrochemical energy conversion.

}, keywords = {AEM, d-band center, electrolyzer, HER, OER}, issn = {2366-7486}, doi = {10.1002/adsu.202400957}, author = {Kumar, Yogesh and Barik, Sidharth and Samudre, Nikhil S. and Kharabe, Geeta Pandurang and Chauhan, Inderjeet and Manna, Narugopal and Bhat, Suresh and Kurungot, Sreekumar} } @article {49567, title = {Separation of isomers of chiral thiourea derivatives via spontaneous resolution and rationale of molecular recognition}, journal = {CrystEngComm}, volume = {27}, year = {2025}, month = {FEB}, pages = {1240-1247}, type = {Article}, abstract = {

Enrichment of enantiomers during crystallization of racemic thiourea derivatives was investigated. The spontaneous resolution of a chiral thiourea derivative via preferential crystallization is attributed to thermodynamic stability when molecules of identical chirality bind with each other in the crystal lattice. Single crystal X-ray analysis reveals the interactions responsible for self-recognition of molecules of the same chirality in the unit cell. The tendency of the thiourea derivative to form a conglomerate is supported by IR spectroscopy, thermal analysis and computational studies.

}, doi = {10.1039/d4ce01226g}, author = {Dwivedi, Astha M. and Gonnade, Rajesh G. and Sahoo, Suban K. and Bedekar, Ashutosh V.} } @article {49536, title = {Sequential nitro-michael addition and reductive cyclization cascade reaction for diastereoselective synthesis of multifunctionalized 3,3'-pyrrolidinyl-spirooxindoles}, journal = {European Journal of Organic Chemistry}, volume = {28}, year = {2025}, month = {FEB}, type = {Article}, abstract = {

In this investigation, we elucidated, one-pot two stage efficient synthesis of multifuctionalized spiro[oxindole -3,3 {\textquoteleft}-pyrrolidine]. The methodology proceeds via organocatalyzed nitro-Michael addition reaction between indolylidenecyanoesters and nitroalkanes to formed nitro-Michael adduct which transformed into multifunctionalized 3,3 {\textquoteleft}-pyrrolidinyl-spirooxindoles by metal catalyzed reductive cyclization cascade. DFT investigations were conducted to elucidate the mechanism underlying the preferential reduction of the nitro group, with subsequent attack on the nitrile and ester groups remain inert throughout the reaction process. The approach is operationally simple, easily scalable, exhibits compatibility with readily accessible starting material and catalysts, thereby emphasizing cost-effectiveness.

}, keywords = {3 {\textquoteleft}-pyrrolidinyl spirooxindoles, DFT study for regioselective cyclization, Diastereoselective 3, organocatalysis, Pd/C catalysed partial reductive spirocyclization}, issn = {1434-193X}, doi = {10.1002/ejoc.202401121}, author = {Nichinde, Chandrakant B. and Bhati, Meema and Girase, Amardipsing S. and Patil, Baliram R. and Chaudhari, Suryakant S. and Gamidi, Rama Krishna and Joshi, Kavita and Kinage, Anil K.} } @article {49431, title = {Shola: a 3D porous hydrophobic-oleophilic lignocellulosic material for efficient oil/water separation}, journal = {Journal of Materials Chemistry A}, volume = {13}, year = {2025}, month = {JAN}, pages = {1983-1995}, type = {Article}, abstract = {

Transitioning from the fossil fuel era to a sustainable future requires increasing adoption of high-performing renewable materials in industrial applications. Natural polymers derived from lignocellulosic materials are often considered more environmentally friendly than their petroleum-based synthetic analogs. Aeschynomene aspera, commonly known as Shola, has been found to be a large source of amorphous cellulose and a useful sorbent for the removal of oil from water. The Shola pith, the pure white inner stem, is rich in cellulose and has an exquisite three-dimensional and hierarchical porous architecture created by nature. The pith consists of about 70 wt\% cellulose as the main chemical component, which is much higher than what is found in other lignocellulosic sources. In addition, the pith has about 12 wt\% hemicellulose, 2-3 wt\% pectin, 10 wt\% lignin, 2.5 wt\% wax, and 2 wt\% protein as other chemical components. It was observed that water has a high contact angle (135 degrees) on the surface of the pith, while oil droplets instantly spread on the surface, indicating excellent hydrophobic-oleophilic properties. Further studies reveal that the Shola pith exhibits a fast and high sorption capacity of 40-60 g/g for various oils and organic liquids. Silicone oil shows a sorption capacity of about 166 g/g. When applied to oil-floating-over-water, the Shola pith exhibits high selectivity for oil over water; almost all oil on the surface could be removed, leaving no trace of oil on the water surface. The Shola pith can also efficiently separate oil from an oil-in-water emulsion. This behavior is unprecedented in natural sorbents. The used material sorbs a considerable volume of the oil even after the 7th cycle. Furthermore about 95\% of sorbed oil could be recovered from the material by solvent extraction. This study reveals for the first time some of the unique and interesting properties of Shola, a widely found biomass native to the eastern parts of the Indian subcontinent, and opens up possibilities of exploiting it for valuable applications.

}, issn = {2050-7488}, doi = {10.1039/d4ta06463a}, author = {Mondal, Keya and Advani, Kushagra and Ghosh, Snigdha and Shanmugnathan, Kadhiravan and Kulsi, Goutam and Sivaram, Swaminathan and Sen Gupta, Sayam} } @article {49715, title = {Sila[1]ferrocenophanes with Bulky Substituents}, journal = {European Journal of Inorganic Chemistry}, volume = {28}, year = {2025}, month = {MAY }, type = {Article}, abstract = {

In this study, sila[1]ferrocenophanes with sterically bulky groups such as tris(trimethylsilyl) or N-heterocyclic iminato located at the bridging silicon atom are synthesized. The reactions of silicon-bound chloride in Fe(eta 5-C5H4)2SiCl2 (1) with K[Si(SiMe3)3] and silylated N-heterocyclic imine result in sila[1]ferrocenophanes 2 and 3 with bulky silicon- and nitrogen-based substituents at the ansa-bridge via elimination of KCl and Me3SiCl. Subsequently, the reduction of 1 is attempted using 2,3,5,6-tetramethyl-1,4-bis(trimethylsilyl)-1,4-dihydropyrazine (popularly known as Mashima reagent), which leads to the elimination of Me3SiCl and generation of 1,4-dihydropyrazine-spanned sila[1]ferrocenophanes (4). All the compounds are structurally characterized.

}, keywords = {ansa-bridges, ferrocenophanes, hypersilyls, Mashima reagents, N-heterocyclic imines}, issn = {1434-1948}, doi = {10.1002/ejic.202500120}, author = {Ajithkumar, V. S. and Bisai, Milan Kumar and Yuvaraj, K. and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {49727, title = {Silicon incorporated tacrine: design, synthesis, and evaluation of biological and pharmacokinetic parameters}, journal = {RSC Medicinal Chemistry}, volume = {16}, year = {2025}, month = {JUN}, pages = {2603-2614}, type = {Article}, abstract = {

Tacrine, an orally bioavailable cholinesterase inhibitor, was previously used to treat Alzheimer{\textquoteright}s disease but was withdrawn due to hepatotoxicity. The unique structural features of tacrine have once again captured the interest of medicinal chemists. However, the blood-brain barrier (BBB) permeability hampered the development of the majority of its new analogs. Herein, we employed a silicon switch approach for improving the BBB permeability of CNS drugs with tacrine as a tool compound. The replacement of C2 methylene of tacrine with dimethyl silicon yielded {\textquoteleft}sila-tacrine{\textquoteright} that inhibits acetylcholinesterase as well as butyrylcholinesterase with IC50 values of 3.18 and 6.09 mu M, respectively. Sila-tacrine competitively inhibits acetylcholinesterase while it is a non-competitive inhibitor of butyrylcholinesterase. The molecular docking results corroborated with the in vitro cholinesterase inhibition activity of tacrine vs. sila-tacrine. Sila-tacrine demonstrated metabolic stability in HLM and MLM and exhibited superior plasma exposure in an oral pharmacokinetic study in Swiss albino mice. However, tissue distribution studies revealed lower-than-expected brain levels due to efflux pump-mediated transport. This study offers a proof-of-concept for the silicon switch approach in improving the BBB permeability of CNS-active compounds.

}, doi = {10.1039/d5md00019j}, author = {Kulkarni, Akshay S. and Ramana, Sreenivasa Rao and Nuthakki, Vijay K. and Bhatt, Shipra and Jamwal, Ashiya and Nandawadekar, Laxman D. and Jotshi, Anshika and Kumar, Ajay and Nandi, Utpal and Bharate, Sandip B. and Reddy, D. Srinivasa} } @article {49868, title = {Silylene-copper(i) catalysis: regioselective protoboration of terminal alkynes}, journal = {Chemical Communications}, volume = {61}, year = {2025}, month = {DEC}, pages = {19652-19655}, type = {Article}, abstract = {

Herein, we report an efficient regioselective protoboration of the terminal alkynes catalyzed by newly synthesized silylene-copper(i)-aryl complexes. This method offers a broad substrate scope, good functional-group compatibility, and a gram-scale synthetic ability. The insight into the mechanistic cycle is also provided with the support of experimental and theoretical studies.

}, issn = {1359-7345}, doi = {10.1039/d5cc06125c}, author = {Kaulage, Sandeep H. and Shah, Brij Kumar and Panday, Rishukumar and Sharma, Himanshu and Vanka, Kumar and Khan, Shabana} } @article {49603, title = {Simple freeze-thaw based method for efficient purification of recombinant human proinsulin from inclusion bodies}, journal = {Protein Expression and Purification}, volume = {227}, year = {2025}, month = {MAR}, pages = {106645}, type = {Article}, abstract = {

Insulin is a pivotal peptide hormone essential for regulating glucose homeostasis. It has been known for over 100 years, but its production and purification methods are still under improvement. Escherichia coli based bacterial expression system is primarily used for insulin production. The human insulin protein expressed in bacteria usually forms inclusion bodies, complicating the purification process. Traditionally, insulin purification is a timeconsuming process involving urea-based denaturation methods, and various refolding techniques, followed by extensive chromatographic methods. Here, we report an easy and efficient purification of human proinsulin involving freeze-thaw based solubilization method. The extracted proinsulin inclusion bodies are treated with different concentrations of urea, followed by a freeze-thaw based solubilization. The freezing was carried out at various temperatures, mainly -80 degrees C, -20 degrees C, and -196 degrees C to determine the optimum condition for solubilization. Highest solubilization of proinsulin from the inclusion body was achieved with 0.5M urea and -20 degrees C. Further Nickel NTA-based purification was performed, and the purified protein was characterized for disulfide mapping by high-resolution mass spectrometer (HRMS). We also performed glucose uptake assays to validate the functional properties of purified proinsulin. This freeze-thaw based mild solubilization approach is a fast and effective method for getting bioactive proinsulin, which will help further design better purification and processing strategies for insulin production.

}, keywords = {Diabetes, Disulfide mapping, glucose, insulin, Mass spectrometry}, issn = {1046-5928}, doi = {10.1016/j.pep.2024.106645}, author = {Rajesh, S. and Jathar, Swaraj and Banarjee, Reema and Sharma, Monika and Palkar, Shivani and Shankar, S. Shiva and Kulkarni, Mahesh J.} } @article {49493, title = {Squaraine dyes as efficient photoredox catalysts for PET-RAFT polymerization in batch and flow modes accelerated by suppression of dye aggregation}, journal = {Macromolecules}, volume = {58}, year = {2025}, month = {MAR}, pages = {2850-2859}, type = {Article}, abstract = {

Organic photoredox catalysts (PCs) based on squaraine dyes are investigated for photoinduced electron transfer-reversible addition-fragmentation chain transfer (PET-RAFT) polymerization under visible-light (lambda max = 485 nm) irradiation in the presence of triethylamine that suppresses self-aggregation of dye and accelerates the polymerization. Several commonly used PCs are also screened, and self-aggregation is found to be reduced with triethylamine, thus providing a simple and effective approach to reduce aggregation of PCs. There is no induction period, and total polymerization time is shorter for squaraine dye PCs than for reported PCs under similar conditions. The photocatalyst system is amenable to polymerization by using different RAFT agents. Methyl methacrylate and a range of functional methacrylates are polymerized with good control over molecular weight and narrow dispersity in a first-order reaction with a random switch {\textquoteleft}{\textquoteleft}ON-OFF{\textquoteright}{\textquoteright} of the light source and even without an inert atmosphere. The mechanism of polymerization without and with requirement of triethylamine is elucidated using control experiments and found to be an oxidative and reductive electron transfer, respectively. A series of diblock and random copolymers of methyl methacrylate with methacrylate monomers are synthesized. Controlled polymerization is also demonstrated using a continuous-flow method and in an aqueous medium.

}, issn = {0024-9297}, doi = {10.1021/acs.macromol.4c02612}, author = {Patil, Anil M. and Nawghare, Indrajeet S. and Nithyanandhan, Jayaraj and Ambade, Ashootosh V.} } @article {49509, title = {Stereoselective strategies for the synthesis of functionalized cis-hydrindanes in natural product synthesis}, journal = {European Journal of Organic Chemistry}, volume = {28}, year = {2025}, month = {APR}, type = {Review}, abstract = {

The cis-hydrindane motif is a bicyclic structure commonly found in many natural products that exhibit significant biological activity. This structural feature is present in a variety of bioactive compounds, particularly terpenoids, steroids, and alkaloids, which are known for their therapeutic potential, including anti-inflammatory, antimicrobial, antiviral, and anticancer properties. Due to its prevalence and biological relevance, the cis-hydrindane framework has attracted considerable attention from synthetic chemists, who have devoted substantial effort toward developing efficient and diverse methods for constructing this important motif. Many of the synthesized cis-hydrindane compounds have been used as key intermediates or building blocks in the total synthesis of complex natural products. This review provides an overview of strategic approaches for synthesizing functionalized cis-hydrindanes and its derivatives from 2000 to the present day, focusing on their application in natural product synthesis. By examining the diverse methods and their impact on natural product synthesis, this review will underscore the enduring importance of the cis-hydrindane framework in both synthetic organic chemistry and medicinal chemistry.

}, keywords = {annulation, Cis-hydrindane, Diel-Alder reaction, Natural products, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.202500006}, author = {Survase, Vijayanand U. and Handore, Kishor L.} } @article {49679, title = {Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties}, journal = {Chemical Science}, volume = {16}, year = {2025}, month = {JUL}, pages = {11989-11998}, type = {Article}, abstract = {

Multi-carbazole-based benzonitrile systems are efficient thermally activated delayed fluorescence (TADF) materials for organic light-emitting diodes (OLEDs). However, they suffer from low PLQY due to the large dihedral angle arising from steric crowding. Addressing this challenge, we demonstrate a potent strategy to engineer steric crowding in this work. To achieve our goal, we have designed three luminogens, namely, CzPHCN, tCzPHCN and Cz2CzPHCN based on phenanthrene-9,10-dicarbonitrile (PHCN), as an acceptor core to minimize the steric hindrance between the donor groups. Among the three luminogens, tCzPHCN exhibits a maximum PLQY of 86\% and the highest RISC rate of 3.5 x 105 s-1, the underlying cause being the least dihedral angle of 45.72 degrees and suppressed intermolecular interaction due to the presence of the bulky tert-butyl group. Interestingly, our QM/MM calculations and experimental evidence suggest that the RISC process of both CzPHCN and tCzPHCN takes place via a hot exciton channel. Unlocking a new realm of applications, the unique non-centrosymmetric space group (Cmc21) of CzPHCN offers excellent SHG with a chi(2) value of 0.21 pm V-1 at 1320 nm. In addition to this, the molecule depicts good ferroelectric (PS = 0.32 mu C cm-2), piezoelectric energy harvesting (VOC = 2.8 V) and two-photon absorption properties.

}, issn = {2041-6520}, doi = {10.1039/d5sc02107c}, author = {Dutta, Madhusudan and Chatterjee, Abhijit and Deka, Nilotpal and Tanwar, Riteeka and Mishra, Vishnu and Saha, Arindam and Mandal, Pankaj and Boomishankar, Ramamoorthy and Hazra, Partha} } @article {49956, title = {Stimulant immobilized bioactive film of functionalized egg albumin blend for wound healing}, journal = {International Journal of Pharmaceutics}, volume = {682}, year = {2025}, month = {SEP }, pages = {125896}, type = {Article}, abstract = {

Wound healing materials with advanced properties that facilitates higher collagen deposition, improved angiogenesis and quick tissue regeneration are crucial for clinical wound management. To meet the requirement, for the first time, our studies focus on engineering bio-originated natural materials, which are tested in combination with the active agents, ascorbic acid (AA), a stimulant and metronidazole (Mtz), an anti-microbial drug. Accordingly, a dual drug (AA, and Mtz) loaded film of functionalized egg albumin (FEA)-poly(vinyl alcohol) (PVA) was fabricated following the solution casting method. The film was characterized for its morphology and physicochemical properties using various analytical tools. The potential of the film as a wound healing material was evaluated, by in vitro drug release, degradation, cell viability, antimicrobial studies, in vivo wound healing, and histopathological analyses. In vitro degradation studies confirmed their degradability in enzymatic and soil burial conditions. Cytotoxicity studies demonstrated their non-toxicity, and the antimicrobial investigations showcased that the material was antibacterial. On the 14th day, the wound closure percentage of the wound induced control group, GI (without treatment) was notably higher at 95 \% compared to the test formulation group, GV [FEA-PVA (30/70 w/w) loaded with Mtz and AA (10 \% w/w of the total polymer weight), respectively], which exhibited a wound closure of 83 \%. Furthermore, the histopathological examinations revealed that the inner wound healing in GV was comparatively better than in GI in terms of angiogenesis, epidermal remodeling, higher collagen deposition, coherency, and tissue regeneration. Consequently, the formulated film can be deemed a suitable wound dressing material.

}, keywords = {collagen, Dual drug release, Functionalized egg albumin, Polymer blend films, Stimulant, wound Healing}, issn = {0378-5173}, doi = {10.1016/j.ijpharm.2025.125896}, author = {Gautam, Tripurari Rao and Patel, Pratikshkumar R. and Singam, Amarnath R. and Jagtap, Ashish S. and Desai, Prasad and Gundloori, Rathna V. N. and Pawar, Anil and Dastager, Syed G.} } @article {49905, title = {Strategic design of a single-source precursor for in situ generation and integration of adherent species on Ni3S4 entangled-nanosheets for energy storage applications}, journal = {ACS Applied Nano Materials}, volume = {8}, year = {2025}, month = {OCT}, pages = {19943-19951}, type = {Article}, abstract = {

Synthesizing transition-metal chalcogenides (TMC) via a single-source precursor (SSP) route has shown great potential due to better reproducibility and control over stoichiometry, phase, and morphology. While the SSP converts into TMC, surfactants or coordinating species are essential to ensure dispersibility for further solution-based processing protocols. These additional species are typically highly toxic, difficult to remove, and adversely affect device performance. Here, as a proof of concept, design-induced in situ stabilized Ni3S4 (DiSNi) protocol demonstrates that strategic SSP design and optimized reaction conditions can facilitate directed chemical reactivity, gradually generating adhering species, which seamlessly integrate onto the metal chalcogenides, aiding the formation of stable dispersions without utilizing additional stabilizers. The proposed mechanism is validated by detailed strategic experiments and analysis, like X-ray photoelectron spectroscopy (XPS), accelerated dispersion stability measurements, and postsynthesis base treatment, which confirm the presence of in situ generated diethylammonium ion (DEA+) as the adherent and corroborate its role in dispersibility. The obtained Ni3S4 entangled-nanosheets are utilized to fabricate additive-free symmetric supercapacitors with organic electrolyte for charge storage over an extended potential window of 2.8 V and an energy density of 12.44 mu W h cm-2 at a power density of 0.42 mW cm-2. The devised DiSNi protocol showcases the importance of the SSP design for achieving multifunctionality. It is anticipated to have a broader impact on the role of careful design of SSP, making it an ideal contender for synthesizing transition-metal chalcogenides.

}, keywords = {dispersion stability, energy storages devices, low-boiling point solvents, nickel sulfide dispersions, organic electrolyte, single-source precursor, Supercapacitors}, doi = {10.1021/acsanm.5c03542}, author = {Singh, Rahul and Thakur, Rohit and Sahu, Umasharan and Sahoo, Ramesh Chandra and Prasad, Bhagavatula L. V. and Matte, H. S. S. Ramakrishna} } @article {49385, title = {Structure and properties of the cellulose fibres spun from imidazolium-based carboxylate functionalized zwitterionic liquid}, journal = {CARBOHYDRATE POLYMERS}, volume = {348}, year = {2025}, month = {JAN }, keywords = {cellulose, Direct dissolution, Zwitterionic liquid}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2024.122804}, author = {Jadhav, Sachin and Singh, Dhirendra and Gupta, Deepika and Ganvir, Vivek and Singh, Madan Kumar and Shanmuganathan, Kadhiravan} } @article {49907, title = {Structure-dynamics correlation and its link to fragility and dynamic heterogeneity}, journal = {Journal of Statistical Mechanics-Theory and Experiment}, volume = {2025}, year = {2025}, month = {SEP }, pages = {094005}, type = {Article}, abstract = {

Understanding the connection between structure, dynamics, and fragility, the rate at which the relaxation time grows with the decreasing temperature, is central to unravelling the glass transition. Fragility is often associated with dynamic heterogeneity, implying that if the structure influences the dynamics, more fragile systems should exhibit stronger structure-dynamics correlations. In this study, we test the generality of this assumption using the Lennard-Jones (LJ) and Weeks-Chandler-Andersen systems, where the fragility is tuned via the density, and a modified LJ (q, p) system, where the fragility is varied by changing the potential softness. We define a structural order parameter based on a mean-field caging potential and analyse the energy barriers at both the macroscopic and microscopic levels. While the macroscopic free energy barrier slope correlates with fragility, the microscopic free energy barrier does not show a consistent trend. Instead, it exhibits a strong correlation with a structure-dynamics correlation measure obtained from isoconfigurational ensemble simulations. Interestingly, the two systems showing the highest structure-dynamics correlation, LJ at rho = 1.1 and the (8, 5) model, are respectively the least and most fragile within their classes. These systems exhibit broad mobility distributions and large non-Gaussian parameters but low four-point susceptibilities, suggesting a decoupling between the spatial correlation length and mobility contrast. Both systems lie in the enthalpy-dominated regime and are close to the spinodal, pointing to mechanical instability as a source of heterogeneity. Our results reveal that the structure-dynamics correlation is more closely linked to the contrast in individual particle mobility than to the spatial extent of dynamic correlations that typically scale with fragility.

}, keywords = {dynamical heterogeneities, Glasses, glassy dynamics, slow relaxation, structural}, issn = {1742-5468}, doi = {10.1088/1742-5468/ae012d}, author = {Sharma, Mohit and Sastry, Srikanth and Maitra Bhattacharyya, Sarika} } @article {49507, title = {Studies on the stereoselective synthesis of sacubitril via a chiral amine transfer approach}, journal = {Chemistry-An Asian Journal}, volume = {20}, year = {2025}, month = {MAR }, type = {Article}, abstract = {

We present a comprehensive account of our efforts directed towards the synthesis of sacubitril, a neprilysin inhibitor used in combination with valsartan and marketed as Entresto (TM). Our initial approach to the formal synthesis of sacubitril employed a chiral pool strategy, utilizing (S)-pyroglutamic acid as a key building block and Cu(I)-mediated Csp2-Csp3 cross-coupling as a key transformation. Further investigations led to the development of chiral amine transfer (CAT) reagents-based stereoselective synthesis. This involved the E-selective construction of gamma-ylidene-butenolide from readily available biphenyl bromide and 4-pentynoic acid, the conversion of this butenolide to its ene-lactam using chiral amine, and substrate-controlled diastereoselective reduction of ene-lactam using Et3SiH or Pd/C, H2 (overall chiral amine transfer) as key transformations. Antipodal lactam intermediates were synthesized using corresponding chiral amines, and the stereochemical outcomes during the ene-lactam reduction with Et3SiH were rationalized by DFT studies.

}, keywords = {Chiral Amine Transfer (CAT) approach, Chiral pool approach, Sacubitril, stereoselective synthesis}, issn = {1861-4728}, doi = {10.1002/asia.202401223}, author = {Sadanande, Megha V. and Thorat, Sagar S. and Sharma, Himanshu and Singh, Geetika and Vanka, Kumar and Gonnade, Rajesh G. and Kontham, Ravindar} } @article {49553, title = {Study of magnetism and electrocatalytic properties in perovskite DyCrO3}, journal = {Journal of Alloys and Compounds}, volume = {1016}, year = {2025}, month = {FEB }, pages = {178934}, type = {Article}, abstract = {

Uniformly sized perovskite DyCrO3 was synthesized by facile hydrothermal method. Complex interdependence of various parameters such as - pH, crystal growth duration, reaction temperature, precursor, and capping molecules on crystal growth was extensively investigated. The effect of synthesis parameters on the magnetic properties of hydrothermally synthesized DyCrO3 was compared with high-temperature synthesized DyCrO3. DyCrO3{\textquoteright}s potential for electrocatalytic water splitting in an alkaline medium (1.0 M KOH) was also evaluated. It demonstrates an overpotential of 280 mV for oxygen evolution reaction (OER) and 210 mV for hydrogen evolution reaction (HER). Further, it exhibits promising stability for OER and HER.

}, keywords = {DyCrO3, Electrocatalytic water splitting, Hydrothermal synthesis, magnetic property, perovskite}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2025.178934}, author = {Ughade, Supriya and Singh, Dinesh and Poddar, Pankaj} } @article {49933, title = {Supercooled liquid phases of luminescent zero dimensional metal halide hybrids}, journal = {Journal of Physical Chemistry Letters}, volume = {16}, year = {2025}, month = {SEP}, pages = {9391-9400}, type = {Article}, abstract = {

Chemical design of metal halide hybrids (MHHs) with suppressed melting point (T-m) allows access to glassy phases from their liquid-melts. Thermal phase change (crystal-melt-glass) properties of glassy MHHs (with glass transition temperature T-g \> room temperature) have been exploited for device applications. However, room temperature stable supercooled liquid (SCL) MHHs (with T-g \< room temperature), originating from glass-SCL phase change, remain inaccessible. Here, a molecular design strategy is reported to access ambient stable, melt-processable, SCL multimetallic bromide hybrids (Mn2+,Cd2+; Mn2+,Zn2+; Benzyltributylammonium) with low T-g (15-16 degrees C), low T-m (90-100 degrees C), green luminescence, and high optical transparency. Structural, optical, thermal, and computational analyses highlight chemical design principles and support dopant (Mn2+) based luminescence. Rheological measurements confirm the SCL phase that shows thermal hysteresis and estimate relaxation time scales. This work provides a new material platform showcasing enhanced melt-processability for fabrication of moldable devices, unravelling chemical makeup-property correlation and expanding the material phase types of MHHs.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.5c01979}, author = {Kumar Das, Deep and Marayathungal, Jumana Hasin and Palakkolil, Athira and Sarma, Dhritismita and Khan, Akram Aadil and Kumar, M. Praveen and Kudlu, Ashwath and Choudhary, Mahendra and Hathwar, Venkatesha R. and Pujala, Ravi Kumar and Mahata, Arup and Kundu, Janardan} } @article {49928, title = {Supramolecular self-assembly of glochidonol: a renewable triterpenoid from glochidion tomentosum}, journal = {Chemistryselect}, volume = {10}, year = {2025}, month = {AUG }, pages = {e01207}, type = {Article}, abstract = {

Glochidonol a lupane pentacyclic (6-6-6-6-5) triterpenoid isolated from Glochidion tomentosum, exhibited exceptional gelation ability compared to the screened lupane- and oleanane-type triterpenoids. This study represents the first report on the self-assembly behavior of glochidonol in various liquids. The molecule self-assembled to form gels in all tested aromatic solvents, whereas no gelation was observed in water or phosphate buffer. The structural and physical properties of the self-assembled glochidonol were characterized using optical microscopy, scanning electron microscopy, atomic force microscopy, and Fourier-transform infrared spectroscopy. Additionally, the glochidonol-based self-assembled fibrillar network was utilized for the encapsulation of fluorescein isothiocyanate as a model drug, highlighting its potential for biomedical applications. A glochidonol-based gel loaded with doxorubicin exhibited sustained, diffusion-mediated drug release into PBS, accompanied by partial gel degradation. Fluorescence analysis confirmed release suggesting drug-gel interactions and diffusion. The glochidonol-based gel demonstrated sustained, diffusion-controlled doxorubicin release with partial degradation under physiological conditions.

}, keywords = {Glochidion tomentosum, Glochidonol, Organo gelator, Self-assembly, Triterpenoids}, issn = {2365-6549}, doi = {10.1002/slct.202501207}, author = {Patil, Harshal S. and Jagadeesh, K. S. and Dinore, Jaysingh and Sharanappa, P. and Baviskar, Ashwini S. and Thulasiram, Hirekodathakallu V.} } @article {49939, title = {Surfactant-assisted tungsten oxide for enhanced acetone sensing and solar-driven photocatalysis: exploring the role of surfactants}, journal = {RSC Advances}, volume = {15}, year = {2025}, month = {AUG }, pages = {27895-27907}, type = {Article}, abstract = {

Surfactants play a pivotal role in the kinetics of nucleation and accretion of nanoparticles in such a way that they serve as a template for the development of nanostructures, consequently influencing the morphology, dimensions, and other surface properties. Herein, we report the influence of cationic and anionic surfactants (CTAB, SDS, PVP and HMT) on the development of pristine WO3 nanostructures and their impact on gas sensing and photocatalytic properties of WO3. The various surfactant-assisted WO3 nanostructures were synthesized via a straightforward hydrothermal route and systematically analyzed using XRD, FESEM-EDAX, TEM/HRTEM, XPS, UV-Vis, and BET measurements. Gas sensing properties of various oxidizing and reducing gases revealed superior selectivity towards acetone. Among the various surfactant-assisted WO3, CTAB/WO3 exhibited an excellent response of 84.84\% towards 100 ppm acetone at an optimal operating temperature of 300 degrees C. The CTAB/WO3 sensor exhibited a linear response to acetone at lower concentrations, showing a 4.8\% response at 0.8 ppm, which delineates the threshold between healthy and diabetic breath acetone levels. At 1.8 ppm, the sensor recorded 8.1\% response, aligning with diabetes values reported by National Institute for Occupational Safety and Health (NIOSH). Moreover, photocatalytic performance evaluations demonstrated a methylene blue degradation efficiency of 47.19\% under natural solar irradiation. This work will motivate researchers in developing high performance acetone gas sensors and photocatalytic dye-degradation by the integration of appropriate surfactants in WO3 nanostructures.

}, doi = {10.1039/d5ra02593a}, author = {Patil, Abhijeet P. and Patil, Suraj S. and Tamboli, Mohaseen S. and Damkale, Shubhangi R. and Nadargi, Digambar Y. and Nadargi, Jyoti D. and Mulla, Imtiaz S. and Suryavanshi, Sharad S.} } @article {49805, title = {Sustainable base-mediated chemical upcycling of poly (propylene carbonate) to β-hydroxy sulfides and oxides}, journal = {Green Chemistry}, volume = {27}, year = {2025}, month = {SEP}, pages = {10543-10549}, type = {Article}, abstract = {

We present a cesium carbonate-mediated method to upcycle poly(propylene carbonate) (PPC) waste into beta-hydroxy sulfides, selenides, and phenoxides via selective thermal depolymerization. The process tolerates diverse nucleophiles, including those from multilayer plastics. Mechanistic studies support a cesium aryl thiolate-driven nucleophilic degradation. The beta-hydroxy products are easily functionalized, and the base is recyclable, offering a sustainable route for PPC valorization.

}, issn = {1463-9262}, doi = {10.1039/d5gc02451j}, author = {Moyilla, Nageswararao and Padhi, Ganeshdev and Barsu, Nagaraju} } @article {49763, title = {Sustainable biodiesel production: importance of feedstock resources and production methods}, journal = {RSC Advances}, volume = {15}, year = {2025}, month = {JUL }, pages = {26739-26754}, type = {Review}, abstract = {

Biodiesel made from renewable feedstock can be considered as a renewable and sustainable alternative to fossil fuels. This review briefly covers the historical background on biodiesel and discusses the various renewable feedstock sources for biodiesel production. It also emphasizes the importance of not only the feedstock quality but also on biodiesel quality that satisfies the ASTM D6751 and EN 1421 standards. In addition, the review describes various methods for biodiesel production with major thrust on transesterification, which is the key process. It also highlights the use of different types of catalysts including acidic, basic, bi-functional, and enzymes in the transesterification reaction. The review concludes by emphasizing the importance of pursuing further research and development to address the challenges in developing low cost and eco-friendly processes for biodiesel production.

}, doi = {10.1039/d5ra03084f}, author = {Mhetras, Nutan and Gokhale, Digambar} } @article {49948, title = {Sustainable cellulose nanofiber extraction from Borassus flabellifer: a comprehensive study and analytical insights}, journal = {Biomass Conversion and Biorefinery}, volume = {15}, year = {2025}, month = {SEP}, pages = {25359-25373}, type = {Article}, abstract = {

Cellulose, a biodegradable and renewable material, is versatile and transforms various fields. This work uses a chemo-mechanical method to discuss the extraction and analysis of palmyra (Borassus flabellifer) fruit derived cellulose nanofibers (PFCNF). The mild acid treatment, steam explosion, and homogenization could increase the physico-chemical properties of Borassus flabellifer fiber. The chemical composition and FTIR analysis confirmed the successful elimination of the hemicellulose, lignin, and other extractives in the palmyra fruit pulp. The solid-state 13C NMR proved the cellulose type I structure of the extracted PFCNF. The crystallinity index of PFCNF was found to be 57\%. The yield of the cellulose was calculated to be 44\%. PFCNF exhibited fibrous morphology with a nanodimension of 10-80 nm, validated using scanning electron microscopy and transmission electron microscopy. With progressive treatments, the thermal stability was increased, and the Tmax of PFCNF was 32 degrees C higher compared to the raw fibers. These superior properties further support their potential in eco-friendly packaging, advanced composites, biomedical materials, film production, electronics, coating materials, and paper production.

}, keywords = {Borassus flabellifer, Biomass, Cellulose nanofiber, Eco-friendly extraction, Sustainable materials, Waste valorization}, issn = {2190-6815}, doi = {10.1007/s13399-025-06859-0}, author = {Surya, S. and Soman, Arathy and Krishnan, Akhil and Suresh, M. Parvana and Neenu, K. V. and Ajithkumar, T. G. and Parameswaranpillai, Jyotishkumar and Begum, P. M. Sabura and Dominic, C. D. Midhun} } @article {49961, title = {Sustainable isolation of cellulose nanofibers with superior crystallinity and thermal stability from Terminalia catappa L. fruit peel waste}, journal = {Biomass Conversion and Biorefinery}, volume = {15}, year = {2025}, month = {JUL}, pages = {21557-21572}, type = {Article}, abstract = {

Turning agricultural waste into value-added products is a key focus of sustainable development. Herein, cellulose nanofibers (CNF) were extracted from the pericarp of Terminalia catappa L. for the first time. The CNF was extracted by chlorine-free pretreatment methods followed by oxalic acid hydrolysis (5 wt\%) assisted with steam explosion. The prepared CNF were characterized by Fourier transform infrared spectroscopy (FTIR), solid-state 13C nuclear magnetic resonance spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and thermogravimetric analysis (TGA and DTG). FTIR analysis confirmed the successful removal of lignin and hemicellulose during chemical treatment which was again validated by solid-state 13C NMR analysis. TEM image revealed that the diameter of the extracted nanofibers ranges from 14 to 18 nm. From XRD analysis, the crystallinity index of the CNF was 82\%, while that of the raw sample was 62 \%. The temperature at which the maximum degradation (Tmax) of CNF occurred was found to be 372 degrees C which is superior to that of the raw sample (334 degrees C). The extracted cellulose nanofibers were used to prepare cellulose paper, demonstrating a tensile strength of 1.1 MPa, indicating its potential suitability for biodegradable packaging applications.

}, keywords = {cellulose, Cellulose nanofiber, green synthesis, Waste to wealth}, issn = {2190-6815}, doi = {10.1007/s13399-025-06726-y}, author = {Harsha, R. and Mol, A. P. Princy and Paul, Sharon and Badawi, Michael and Ajithkumar, T. G. and Rao, H. Jeevan and Parameswaranpillai, Jyotishkumar and Nair, Ajalesh B. and Begum, P. M. Sabura and Dominic, C. D. Midhun} } @article {49719, title = {Sustainable UV absorbing bio-plastic films by valorisation of humins and chitosan}, journal = {International Journal of Biological Macromolecules}, volume = {311}, year = {2025}, month = {JUN}, pages = {143710}, type = {Article}, abstract = {

Humins, an inevitable bio-refinery waste by-product of sugar dehydration have been efficiently utilized for the first time for developing biodegradable thin films for UV shielding. The films were prepared from chitosan, and humins, a novel combination, aiming towards simultaneous utilization of marine and bio-refinery waste, rendering simple, effective, robust UV absorbing films. The structure-activity relationship of these films were elucidated with the help of different analytical techniques like X-ray diffraction, Fourier transform infrared spectroscopy, Thermogravimetric analysis, UV-vis spectroscopy, Atomic force microscopy, Scanning electron microscopy, Tensile testing, Contact angle measurements and water absorption studies. Intrinsic biodegradability was studied using fungi i.e. Aspergillus niger. Different feedstocks (corncob, rice husk, glucose and xylose) were explored for generating humins. Amongst them, humins derived from xylose were utilized for the preparation of the bio-plastic films of chitosan. The results revealed that, addition of 5.0 \% humins was observed to be an optimum concentration yielding films with excellent UV absorption, mechanical properties, and biodegradability. The current work is in perfect alignment with sustainability and green chemistry as it ameliorates waste valorization (lignocellulosic and marine altogether). Further, its innovation stems from the first-hand use of humins for UV absorption, novel combination of biopolymers, use of green raw materials.

}, keywords = {biodegradable, Chitosan, Humins, Thin films, UV absorption, Waste valorization}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2025.143710}, author = {Lucas, Nishita and Tambe, Snehal S. and Parate, Roopa and Hengne, Amol and Rode, C. V. and Athawale, Anjali A.} } @article {49809, title = {Sustained release polyurethane microcapsules by interfacial polycondensation using aromatic diols}, journal = {Reactive \& Functional Polymers}, volume = {216}, year = {2025}, month = {NOV}, pages = {106460}, type = {Article}, abstract = {

Polyurea-urethane (PUU) microcapsules prepared via interfacial polymerization have gained significant interest due to their tunable size and membrane thickness, high loading efficiency, and scalability. Although several aromatic and aliphatic diols and polyols have been used to produce PU foams and films, the use of aromatic diols to synthesize PUU MICs via interfacial polymerization is an unexplored domain due to the restricted solubility of aromatic diols in water. This report highlights the successful preparation of PUU microcapsules using an aromatic diol (benzene-1,4-dimethanol, BDM) to encapsulate dimethyl phthalate (DMP), a model insect repellent. The developed PUU microcapsules exhibited a high \% encapsulation efficiency of 92 \% and a size range of 1-20 mu m. Differential scanning calorimetry (DSC) thermograms revealed a significantly high glass transition temperature (Tg) of 143 degrees C as compared to 108 degrees C in the case of PUU MICs with aliphatic diols. Release studies confirm enhanced barrier properties for aromatic diol-based MICs as compared to aliphatic ethylene glycol-based PUU MICs, and interpretation of the release profile using the Weibull Model reveals that Fickian diffusion is the dominant mechanism in the release of DMP. These microcapsules can be used in high-performance applications such as composites, coatings, electronics, and construction.

}, keywords = {interfacial polymerization, Microencapsulation, polyurethane, sustained release}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2025.106460}, author = {Yadav, Prashant and Ravikumar, Aniruddha and Ambade, V. Ashootosh and Shanmuganathan, Kadhiravan} } @article {49917, title = {Synergistic effect of acidic-basic features of copper-doped layered double hydroxides nanocatalysts in valorization of biomass-derived furfural to biofuels}, journal = {ChemPlusChem}, volume = {90}, year = {2025}, month = {DEC}, pages = {e202500416}, type = {Article}, abstract = {

Valorization of biomass-derived chemicals into high-quality compounds and biofuels is enormously fundamental to diminish dependence on fossil-based resources. Furfural is a bio-based valuable compound which can be proficiently upgraded to 4-(2-furyl)-3-buten-2-one (FAc) and 1,4-pentadiene-3-one, 1,5-di-2-furanyl (F 2 Ac) via aldol condensation of furfural with acetone. In the present work, efficient Cu-doped Mg-Al layered double hydroxides (LDH) nanocatalysts are fabricated by coprecipitation and are exploited for furfural conversion to obtained FAc and F 2 Ac. The structure-activity relationship is scrutinized by characterizing fresh and spent nanocatalysts via numerous techniques. The good correlation between the amount of weak acidic-weak basic catalytic sites and nanocatalysts performance is established. The superior performance of Cu-0.1 nanocatalyst (Cu-content = 1.85 wt\%) in aldol condensation is attributed to the presence of optimum weak acidic sites (0.21 mmol g-1) and weak basic sites (0.36 mmol g-1), synergistic acidic-basic effect, nano-sized Cu(OH) 2 nanoparticles (1.6 nm), high BET surface area (181 m2 g-1), and mesoporous architecture of material. Cu-0.1 nanocatalyst delivered 98\% FAc selectivity with 100\% furfural conversion at 85 degrees C. Furthermore, at 100 degrees C, the nanocatalyst gives 55\% F 2 Ac selectivity with 73\% furfural conversion. The catalyst displays good recyclability (7 recycles) and stability. Plausible mechanistic pathway for transformation of furfural to FAc and F 2 Ac is proposed.

}, keywords = {Aldol condensation, biofuels, biomass valorization, nanocatalysis, synergistic effect}, issn = {2192-6506}, doi = {10.1002/cplu.202500416}, author = {Gode, Nilesh G. and Nagpure, Atul S. and Rewatkar, Suresh B. and Bhagat, Shailesh K. and Deshmukh, Ganpat D. and Saini, Ajay} } @article {49496, title = {Synergistic improvement of narrow bandgap PbS quantum dot solar cells through surface ligand engineering, near-infrared spectral matching, and enhanced electrode transparency}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {JAN}, pages = {6614-6625}, type = {Article}, abstract = {

The tunability of the energy bandgap in the near-infrared (NIR) range uniquely positions colloidal lead sulfide (PbS) quantum dots (QDs) as a versatile material to enhance the performance of existing perovskite and silicon solar cells in tandem architectures. The desired narrow bandgap (NBG) PbS QDs exhibit polar (111) and nonpolar (100) terminal facets, making effective surface passivation through ligand engineering highly challenging. Despite recent breakthroughs in surface ligand engineering, NBG PbS QDs suffer from uncontrolled agglomeration in solid films, leading to increased energy disorder and trap formation. The limited NIR transparency of commonly used indium-doped tin oxide (ITO) electrodes and inadequate NIR radiation from commercially available solar simulators further compromise the true performance of NBG PbS QDs in solar cells. Here, we employ a hybrid ligand strategy based on inorganic cadmium halide and organic thiol molecules, leading to the partial substitution of surface Pb atoms with Cd heteroatoms. This hybrid ligand strategy substantially reduces undesired QD fusion in solid films, improving the photophysical and electronic properties. By modulating the thickness of the ITO layer and managing refraction loss through a ZnO layer coating, we improved NIR transparency to above 80\%. We combine an NIR light source with a solar simulator to achieve near-ideal spectral matching for a broader range with standard AM1.5G illumination. Enhancements in surface passivation of QDs, improvements in NIR transparency of electrodes, and a spectral matched light source setup help us achieve solar cell power conversion efficiencies of 12.4\%, 4.48\%, and 1.37\% under AM 1.5G, perovskite filter, and silicon filter illuminations, respectively. A record open-circuit voltage (V oc) of 0.54 V and short-circuit current density (J sc) of 38.5 mA/cm2 are achieved under AM 1.5G illumination. We attribute these advancements in photovoltaic parameters to the reduction in Urbach tail states and intermediate trap density originating from superior surface passivation of QDs.

}, keywords = {lead sulfide, ligand passivation, near-infrared, quantum dots, solar cell, tandem solarcell}, issn = {1944-8244}, doi = {10.1021/acsami.4c22334}, author = {Sharma, Anjali and Shinde, Dipak Dattatray and Mahajan, Chandan and Dambhare, Neha V. and Biswas, Arindam and Mitra, Anurag and Girade, Vrushali S. and Rath, Arup K.} } @article {49937, title = {Synergistic MoS2@MWCNT nanocomposites for high-efficiency catalysis and energy applications}, journal = {Chemical Physics Letters}, volume = {879}, year = {2025}, month = {NOV }, pages = {142417}, type = {Article}, abstract = {

The MoS2-MWCNT composite heterojunction for its potential as an electrocatalyst and energy storage material. The composite demonstrated remarkable electrochemical performance, achieving a specific capacitance of 263 F/g, an energy density of 16.89 Wh/kg, and a power density of 478 W/kg. Using CV profiles, we analyzed the charge storage mechanism and found that the anodic and cathodic processes had b values of 0.48 and 0.45, respectively, indicating diffusion-controlled behavior. Diffusion coefficients of 6.44 x 10(-7) cm(2)/s (anodic) and 11.32 x 10(-7) cm(2)/s (cathodic) confirmed this mechanism. In the constructed device using MoS2-MWCNT and activated carbon (AC), we observed a specific capacitance of 18.71 F/g, an energy density of 5.09 Wh/kg, and a power density of 833 W/kg. After stability, testing, electrochemical impedance spectroscopy (EIS) revealed a slight increase in series resistance, rising from 2.33 Omega to 2.49 Omega. The MoS2-MWCNT composite also exhibited excellent electro catalytic performance. For the hydrogen evolution reaction (HER), it achieved an over potential of 0.221 V and a Tafel slope of 0.321 V/dec. After stability testing, we measured Rs and Rct values of 4.86 Omega and 2.57 Omega, respectively. For the oxygen evolution reaction (OER), the composite showed an over potential of 597 mV and a Tafel slope of 0.285 V/dec, with post-stability Rs and Rct values of 5.63 Omega and 5.57 Omega, respectively. These findings highlight the versatility of the MoS2-MWCNT composite for applications in energy storage and water splitting.

}, keywords = {electrocatalysis, hydrothermal, MoS2-MWCNT, supercapacitor, TEM, XPS}, issn = {0009-2614}, doi = {10.1016/j.cplett.2025.142417}, author = {Auti, P. S. and Kanawade, R. V. and Alshehri, S. A. and Warule, S. S. and Shin, D. K. and Yewale, M. A.} } @article {49804, title = {syn-Selective hydrosilylation and hydroboration of alkynes at room temperature catalyzed by a phosphine-free (NNN)Fe(ii) complex}, journal = {Catalysis Science \& Technology}, volume = {15}, year = {2025}, month = {NOV}, pages = {6716-6725}, type = {Article}, abstract = {

Catalytic hydrofunctionalization of alkynes is the ideal and atom-economical route to synthesize vinylsilanes and vinylboronates, which are valuable organic building blocks. However, the process suffers from using expensive phosphine-ligated catalysts, sensitive organometallic activators, and elevated reaction temperatures. To overcome these challenges, herein, we developed a series of phosphine-free (NNN)-ligated iron complexes and demonstrated their potential as efficient catalysts for the hydrosilylation and hydroboration of both internal and terminal alkynes using NaOtBu as an activator. The reactions proceeded smoothly using 1.5 mol\% catalyst loading at room temperature and provided syn-selective vinylsilanes and vinylboronates. This hydrofunctionalization exclusively delivered mono-silylated and mono-borylated vinyls with tolerance of sensitive functionalities. At the same time, terminal alkynes provided excellent anti-Markovnikov selectivity with thermodynamically feasible beta-(E)-vinylsilanes and beta-(E)-vinylboronates. The presence of an N-H moiety in the ligand backbone is crucial in generating an Fe(ii) active catalyst and facilitating the catalytic process. Mechanistic investigations, including controlled reactions and external additive experiments, were performed to propose a redox-neutral reaction mechanism with iron maintaining its +2 oxidation state throughout the cycle. The DFT energy calculations unanimously support the proposed reaction mechanism.

}, issn = {2044-4753}, doi = {10.1039/d5cy00766f}, author = {Pradhan, Chandini and Dubey, Shivansh and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Punji, Benudhar} } @article {49994, title = {Synthesis and characterization of thermosetting adhesives from epoxidized Thevetia peruviana oil for sustainable bonding solutions}, journal = {RSC Sustainability}, volume = {4}, year = {2025}, month = {DEC}, pages = {456-465}, type = {Article}, abstract = {
The demand for bio-based epoxy thermoset alternatives within the adhesive industry has seen substantial growth in recent years. This increase is attributed to a heightened exploration of renewable materials, including biopolymers and monomers derived from renewable resources. However, despite these significant advancements, a considerable portion of the research primarily focuses on edible oils, which may inadvertently neglect critical implications for food security. So, this study explores the thermal, mechanical, and adhesive properties of epoxy thermosets derived from biobased epoxidized\ Thevetia peruviana\ oil (ETPO) cured with two diamines, 1,10-decane diamine (DDA) and\ m-xylene diamine (XDA), using imidazole (IM) as a catalytic initiator. The thermosets were evaluated for lap shear strength on stainless steel (SS) and aluminium (Al) substrates at varying imidazole concentrations (0{\textendash}5\%) and curing times (24{\textendash}96 hours). The results show that DDA-cured thermosets demonstrate superior thermal stability and heat resistance, with\ T5\%\ increasing from 149 {\textdegree}C to 256 {\textdegree}C and\ THRI\ from 139 {\textdegree}C to 162 {\textdegree}C as IM concentration rises. XDA-cured thermosets exhibit higher adhesive strength, peaking at 1.47 MPa on SS at 5\% IM and 72 hours, but lower thermal stability, with\ T5\%\ values decreasing from 157 {\textdegree}C to 68 {\textdegree}C. Imidazole{\textquoteright}s catalytic efficiency enhanced the crosslinking in both systems, with DDA providing better thermal stability and XDA delivering higher adhesive strength. These findings demonstrate the potential of ETPO-based thermosets as sustainable adhesives, offering excellent performance for industrial applications.
The demand for bio-based epoxy thermoset alternatives within the adhesive industry has seen substantial growth in recent years.

}, doi = {https://doi.org/10.1039/d5su00782h}, author = {Kambikanam, Karthika Vayalachery and Bindu, Bhadra Purushothaman and Olosho, Adebayo Isaac and Nair, Kiran Sukumaran} } @article {49527, title = {Synthesis and concomitant polymorphs of green fluorescence protein chromophore-anthracene-based fluorescent analogue}, journal = {Crystal Growth \& Design}, volume = {25}, year = {2025}, month = {FEB}, pages = {1011-1022}, type = {Article}, abstract = {

Controlled variations in fluorescence properties hold significant promise for applications in optical sensors, bioimaging, and advanced display devices. However, constructing multicolor fluorescent systems remains a challenge. In this study, we demonstrate the development of multicolor fluorescence by generating polymorphs of a novel green fluorescent protein chromophore analogue, which exhibits distinct photoluminescence emissions in the solid state. The observed emission variations are attributed to differences in molecular conformation due to variations in pi-stacking interactions between the polymorphs. This offers a novel approach to designing materials with tunable fluorescence properties.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.4c01347}, author = {Mali, Bhupendra P. and Dabke, Niteen B. and Dash, Soumya R. and Biswas, Anupam and Vanka, Kumar and Manoj, Kochunnoonny and Gonnade, Rajesh G.} } @article {49983, title = {Synthesis and crystal structure analysis of bis-(benzo-thia-zole-2-thiol-ato-κS)(1,10-phen-anthroline-κ2N,N')zinc(II)}, journal = {Acta Crystallographica Section E, Crystallographic Communications}, volume = {81}, year = {2025}, month = {JUN}, pages = {642{\textendash}645}, type = {Article}, doi = {10.1107/S2056989025005468}, author = {Abdullayeva, Gulchekhra and Torambetov, Batirbay and Kadirova, Shakhnoza and Daminova, Shahlo} } @article {49993, title = {Synthesis and crystal structure of [Sr(urea)(NO3)2]n}, journal = {Acta crystallographica Section E, Crystallographic communications}, volume = {81}, year = {2025}, month = {FEB}, pages = {96-98.}, type = {Article}, abstract = {

The crystal structure of poly[di-μ2-nitrato-μ2-urea-strontium(II)], [Sr(NO3)2(CH4N2O)]\ n\ , was determined using single-crystal X-ray diffraction. Crystallizing in the ortho-rhom-bic space group\ Aba2, the asymmetric unit consists of an SrII\ cation, two nitrate anions, and two half urea mol-ecules. The SrII\ cation adopts a distorted deca-hedral geometry coordinated by ten oxygen atoms, with Sr-O bond lengths ranging from 2.573 (3) to 2.847 (5) {\r A}. The nitrate anions act as bidentate ligands, displaying both terminal and bridging coordination modes. The structure features a robust coordination network supported by hydrogen bonding. These results provide insight into the coord-ination behaviour of SrII\ with nitrate and urea ligands, contributing to the understanding of supra-molecular architectures in metal-organic frameworks (MOFs).

}, doi = {10.1107/S2056989024012386}, author = {Bektursinova, Aysanem and Djumanazarova, Zulfiya and Uzakbergenova, Zamira and Ashurov, Jamshid and Khan, Akram A. and Kadirova, Shakhnoza and Torambetov, Batirbay} } @article {49879, title = {Synthesis and evaluation of novel aza-aromatics as dual 5-HT2A and 5-HT2C receptor agonists}, journal = {ACS Medicinal Chemistry Letters}, volume = {16}, year = {2025}, month = {DEC }, pages = {2435-2443}, type = {Article}, abstract = {

The 5-HT2A and 5-HT2C receptors are key therapeutic targets for CNS disorders. We investigated whether a nonhallucinogenic dual 5-HT2A/5-HT2C agonist could offer novel treatment potential. Large screening of in-house structurally diverse compounds revealed centhaquin, an FDA-approved hypovolemic shock drug, as a selective 5-HT2C agonist (EC50: 35 nM). We then synthesized 22 aza-aryl analogs with modified piperazine groups, and identified two dual agonists, 3ci and 3dh (EC50 \< 1 mu M), with no 5-HT2B activity up to 10 mu M. Molecular docking highlighted critical interactions with Ser159 (5-HT2A) and Ser138 (5-HT2C) on the upper side of the orthosteric binding pocket. Pharmacokinetic studies in mice demonstrated that 3ci was rapidly absorbed in the plasma and brain (T-max = 0.08 h; C-max = 936.4 ng/mL plasma, 2446.8 ng/g brain). Both compounds (3ci and 3dh, 20 mg/kg, i.p.) triggered a head-twitch response but were less potent than the hallucinogenic control 2,5-dimethoxy-4-iodoamphetamine, suggesting a reduced hallucinogenic liability. These results highlight 3ci as a promising lead for developing 5-HT2A/2C dual agonists to treat CNS disorders.

}, keywords = {5-HT2A, 5-HT2C, Centhaquin, GPCR, Head Twitch Response, Serotonin Receptor}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5c00505}, author = {Adhikari, Amit Singh and Yadav, Annu and Pandit, Soumen and Kumar, Suresh and Pandey, Vinay Kumar and Maurya, Arvind Kumar and Umrao, Deepmala and Chand, Diwan and Maity, Debalina and Gayen, Jiaur R. and Srivastava, Kinshuk Raj and Yadav, Prem N. and Majumdar, Nilanjana} } @article {49624, title = {Synthesis and structural studies of ammonium exchanged synthetic analogue of disordered aluminosilicate natrolite}, journal = {Microporous and Mesoporous Materials}, volume = {384}, year = {2025}, month = {FEB}, pages = {113441}, type = {Article}, abstract = {

The current article reports preparation and structural analysis of NH4+ exchanged form of synthetic natrolite zeolite (NH4-natrolite) with disordered structure wherein Si and Al occupies all the tetrahedral (T) sites in the zeolite framework. Structural data is used to gain insight into the structural parameters those influence thermal stability of its proposed H-form. NH4-natrolite is prepared by ion-exchange method from K-natrolite (which was also obtained by ion-exchange with Na-natrolite). Na-natrolite, K-natrolite and NH4-natrolite prepared in this study were tested for their structural, morphological and thermal analysis. Synchrotron X-ray diffraction data was utilized to estimate the crystal structures of hydrated forms of Na-natrolite, K-natrolite and NH4-exchanged natrolites. Thermal analysis of NH4-natrolite revealed that the dehydration is followed by removal of ammonia during calcination. The role of the size (radius) and nature (either divalent or monovalent) of the exchangeable cations present in the channels, the framework chemical content and extent of {\textquoteleft}T{\textquoteright} atom ordering have been collectively discussed and correlated with the structural behaviour of calcined NH4-natrolite to explain its thermal stability in better way.

}, keywords = {Crystal structure of natrolite, Disordered framework, zeolite}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2024.113441}, author = {Gavhane, Manjusha J. and Jha, R. K. and Nam, Kyung-Wan and Bhange, Deu S.} } @article {49558, title = {Synthesis, biological screening, and molecular docking of hybrid pyrazole scaffolds for antitubercular and antimicrobial activity}, journal = {ChemistrySelect}, volume = {10}, year = {2025}, month = {JAN}, pages = {e202404830}, type = {Article}, abstract = {

This study reports the synthesis, characterization, and docking analysis of 21 novel compounds, including asymmetric dihydropyridines (4a-4o) and chalcones (6a-6f), derived from coupling 1,3-(substituted)-diphenyl-1H-pyrazole-4-carbaldehyde with active methylene compounds and 3-acetyl-4-hydroxycoumarin, respectively. Structural confirmation was achieved through 1H and 13C NMR, IR, and mass spectrometry. Biological screening against mycobacterium tuberculosis H37Ra identified compounds 4b, 4d, 4f, 4g , 4i, 4k, 6e, and 6f as significant antitubercular agents. Antibacterial evaluation at 30 mu g/mL showed selective inhibition of gram-positive bacteria, with compound 6e active against Staphylococcus aureus and Bacillus subtilis, and 6f showing activity specifically against S. aureus. Docking studies indicated effective InhA binding (Delta G = -3.52 to -7.27 kcal/mol) and inhibition constants ranging from 2640 to 4.71 mu M. Key binding interactions with residues TYR156 and ILE192 were observed, enhancing affinity, particularly for compound 6e. The SAR analysis emphasized the enhanced antitubercular potency of 2-chloroacetyl and 2,4-dichlorobenzoyl substitutions in the dihydropyridine series, while in the chalcone series, specific substitutions, such as the 3-nitro substitution in 6e, enhance antitubercular and antimicrobial potency due to stronger hydrogen bonding and increased polar surface area, while the 4-fluoro substitution in 6f confers selective activity against S. aureus.

}, keywords = {1, 4-dihydropyridine, 4-hydroxy coumarin, Biological activity, In silco studies, Pyrazole}, issn = {2365-6549}, doi = {10.1002/slct.202404830}, author = {Bavishi, Abhay and Vala, Hardev and Radadiya, Ashish and Swami, Sagar and Thakrar, Shailesh and Sarkar, Dhiman and Shah, Anamik} } @article {49517, title = {Synthesis, characterization and theoretical investigations of the newly developed molecular salts of an anti-psychotic drug (Penfluridol)}, journal = {Journal of Molecular Structure}, volume = {1328}, year = {2025}, month = {APR}, pages = {141392}, type = {Article}, abstract = {

Penfluridol (PEN) is a clinically relevant antipsychotic medication used to treat schizophrenia; nevertheless, its bioavailability is limited due to its poor solubility. To address this issues, new molecular salts of PEN are being produced utilizing an array of GRAS (Generally Recognised AS Safe) salt formers such as oxalic acid (OXA), malonic acid (MAL), maleic acid (MAE), and an artificial sweetener (saccharin (SAC)). A variety of solid-state analytical techniques were used to identify and characterize the resulting molecular salts. Moreover, PEN and its novel salts{\textquoteright} solubility were assessed using high-performance liquid chromatography (HPLC) and the data revealed that among all the adducts PEN.MAL exhibited a significantly higher solubility which is similar to 15 times more than the parent drug PEN. Furthermore, in order to enhance comprehension of the hydrogen bonding interaction, the Hirshfeld surface (HS), frontier molecular orbital (HOMO-LUMO), non-covalent interaction plots (NCIs), and electrostatic potential maps (ESP) investigations are discussed. Additionally, the stability of the synthesized adducts was evaluated over a 2-week period under accelerated humidity (90 \% +/- 5 \% RH, 40 +/- 1 degrees C) and it was observed that all the adducts demonstrated excellent stability. In light of the aforementioned observations, we expect that the latest discovery will be a superior alternative for refining and strengthening the pharmacological features of PEN.

}, keywords = {Anti-psychotic drug, Hydrogen bond, Liquid-assisted grinding (LAG), solubility}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2025.141392}, author = {Kenguva, Gowtham and Rout, Smruti Rekha and Kar, Ananya and Giri, Lopamudra and Mahapatra, Sanat Kumar and Shaikh, Tabrez R. and Baidya, Debjani and Shelke, Nikita and Dandela, Rambabu} } @article {49955, title = {Synthesis, characterization, computational and biological evaluation of pyrazole hydrazones as promising anti-inflammatory agents}, journal = {Scientific Reports}, volume = {15}, year = {2025}, month = {NOV }, pages = {42206}, type = {Article}, abstract = {

In this study, two pyrazole-based hydrazone derivatives, 5-methyl-1-phenyl-4-(1-(2-phenylhydrazineylidene)ethyl)-1H-pyrazole (PMPH) and 1-(4-fluorophenyl)-5-methyl-4-(1-(2-phenylhydrazineylidene)ethyl)-1H-pyr azole (4F-PMPH), were synthesized and the structures of the compounds were elucidated through FT-IR, 1H and 13C NMR, and mass spectral methods. The anti-inflammatory potential was evaluated using the bovine serum albumin denaturation assay, with PMPH and 4F-PMPH showing maximum inhibition at 0.5 mg/mL, respectively, suggesting that fluorine substitution enhances bioactivity. Molecular docking studies against COX-II (PDB: 3LN1) revealed favorable binding energies of - 7.21 kcal/mol (PMPH) and - 8.03 kcal/mol (4F-PMPH). Molecular dynamics simulation of the best docked compound 4F-PMPH with COX-II (PDB: 3LN1) revealed a stable complex over a 100 ns simulation, supporting its potential as a promising inhibitor. In silico ADME analyses revealed pharmacokinetic behavior and drug-likeness. A comparative Density functional theory-based spectroscopic and electronic investigation was conducted using the B3LYP/6-31G(d,p) level of theory. Vibrational frequency analysis showed strong correlation between theoretical and experimental IR spectra. Frontier molecular orbital analysis, molecular electrostatic surface potential maps, Mulliken charges, electronic and global reactivity parameters were also studied. Besides, reduced density gradient, non-covalent interaction, electron localization function, and localized orbital locator maps were analyzed for both the compounds.

}, keywords = {Anti-inflammatory, Density functional theory, Drug design, Hydrazone, Pyrazole}, issn = {2045-2322}, doi = {10.1038/s41598-025-26088-9}, author = {Deshmukh, Hemant S. and Adole, Vishnu A. and Frit, A. Alfind Paul and Mali, Suraj N. and Yasin, Haya Khader Ahmad and Patil, Bhausaheb N. and Janani, S. and Jagdale, Bapu S.} } @article {49625, title = {Synthesis, crystal structure and Hirshfeld analysis of a novel supra-molecular compound [Co(tsc)3]2[Co(cit)2](NO3)4{\textperiodcentered}4H2O}, journal = {Acta Crystallographica Section E-Crystallographic Communications}, volume = {81}, year = {2025}, month = {MAR}, pages = {248-251}, type = {Article}, abstract = {

A new cobalt complex, bis-[tris-(amino-thio-urea)cobalt(III)] bis-[2-(carb-oxy-methyl)-2-hy-droxy-butane-dioato]cobalt(II) tetra-nitrate tetra-hydrate, [Co(CH5N3S)3][Co(C6H6O7)2]0.5(NO3)2{\textperiodcentered}2H2O, designated as [Co(tsc)3]2[Co(cit)2](NO3)4{\textperiodcentered}4H2O, was synthesized. Two crystallographically independent cobalt centers are present. In the first, the central metal atom is chelated by three thio-semicarbazide ligands in a bidentate fashion whereas the second, positioned on a crystallographic inversion center, is hexa-coordinated by two citrate anions in a distorted octa-hedral geometry. Additionally, two water mol-ecules and two nitrate anions are present in the\ asymmetric unit.\ Hirshfeld surface analysis revealed that the presence of numerous donor and acceptor groups in the complex, which facilitate hydrogen-bonding inter-actions that contribute significantly to the overall cohesion of the crystal structure.

}, doi = {https://doi.org/10.1107/S2056989025001136}, author = {Nuralieva, Guzal and Umirzakova, Oydinoy and Torambetov, Batirbay and Rasulov, Abdusamat and Ashurov, Jamshid and Kadirova, Shakhnoza} } @article {49990, title = {Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thia-zol-2-yl)sulfan-yl]-1,3,4-thia-diazole}, journal = {Acta Crystallographica Section E Crystallographic Communications}, volume = {81}, year = {2025}, month = {JUN}, pages = {569{\textendash}572}, type = {Article}, abstract = {

The title compound, C6H5N3S3, consists of two biologically relevant heterocyclic units, suggesting potential biological activity and possible use as a ligand in metal complexation. The compound crystallizes in the monoclinic space group\ P21/c\ and features non-classical inter-molecular C{\textemdash}H...N hydrogen bonds, along with π{\textendash}π stacking inter-actions that contribute to the crystal cohesion. Hirshfeld surface analysis highlights significant inter-molecular inter-actions including, among others, N...H/H...N, S...H/H...S, and S...C/C...S contacts.

}, doi = {10.1107/S2056989025004980}, author = {Kinshakova, Ekaterina and Torambetov, Batirbay and Bharty, Manoj K. and Atashov, Aziz and Rasulov, Abdusamat and Kadirova, Shakhnoza and Gonnade, Rajesh G.} } @article {49982, title = {Synthesis, crystal structure and Hirshfeld surface analysis of a coordination compound of cadmium nitrate with 2-amino-benzoxazole}, journal = {Acta Crystallographica Section E, Crystallographic Communications}, volume = {81}, year = {2025}, month = {JUN}, pages = {482-485}, type = {Article}, abstract = {

A coordination complex of cadmium nitrate [Cd(NO3)2] with 2-amino-benzaxole (2AB; C7H6N2O), namely, tetra-kis-(2-amino-benzoxazole-κN1)bis-(nitrato-κO)cadmium(II), [Cd(NO3)2(2AB)4], has been synthesized from ethanol solutions of Cd(NO3)2{\textperiodcentered}H2O and 2AB. The asymmetric unit comprises half a mol-ecule of [Cd(NO3)2(2AB)4], with the CdII\ atom positioned on a twofold rotation axis. In the completed mol-ecular complex, four 2AB ligands and two nitrate anions each coordinate monodentately to the CdII\ atom, leading to a distorted octa-hedral coordination environment. The crystal structure of [Cd(NO3)2(2AB)4] exhibits several N-H...O inter-actions, resulting in the formation of a layered assembly parallel to (001). Hishfeld surface analysis was used to qu-antify the inter-molecular inter-actions.

}, doi = {10.1107/S2056989025004049}, author = {Razzoqova, Surayyo and Ruzimov, Yodgor and Toshov, Akobir and Torambetov, Batirbay and Ibragimov, Aziz and Ashurov, Jamshid and Kadirova, Shakhnoza} } @article {49989, title = {Synthesis, crystal structure and Hirshfeld surface analysis of a coordination compound of silver nitrate with 2-amino-benzoxazole}, journal = {Acta Crystallographica Section E Crystallographic Communications}, volume = {81}, year = {2025}, month = {NOV}, pages = {1182-1185}, type = {Article}, abstract = {

The coordination complex of 2-amino-benzaxole (2AB) with silver(I), namely, bis(2-aminobenzoxazole-κN)silver(I) nitrate-bis(2-aminobenzoxazole (1/2), [Ag(C7H6N2O)2]NO3{\textperiodcentered}2C7H6N2O or [Ag(2AB)2]NO3{\textperiodcentered}(2AB)2, was synthesized from ethanol solutions of AgNO3\ and 2AB. The asymmetric unit contains one mol-ecule of [Ag(2AB)2]NO3{\textperiodcentered}(2AB)2, The central silver(I) atom is coordinated by two nitro-gen donor atoms from 2-amino-benzaxazole ligands in an N2\ coordination set while another two 2-amino-benzaxazole ligands and one nitrate anion remain uncoordinated. The crystal structure features several intra-molecular N-H...O and N-H...N hydrogen-bonding inter-actions as well as C-H...π, Ag...π and π-π inter-actions between adjacent AB ligands. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to investigate the inter-molecular inter-actions.

}, doi = {10.1107/S2056989025010254}, author = {Razzoqova, Surayyo and Sadullayeva, Sojida and Erkinov, Sirojiddin and Torambetov, Batirbay and Alieva, Guloy and Yakhshieva, Zukhra and Ashurov, Jamshid and Kadirova, Shakhnoza} } @article {49981, title = {Synthesis, crystal structure and Hirshfeld surface analysis of bis-[2-amino-5-(ethyl-sulfan-yl)-1,3,4-thia-diazol-3-ium] bis-(perchlorato-κO)bis-(picolinato-κ2N,O)copper(II)}, journal = {Acta Crystallographica Section E, Crystallographic Communications}, volume = {81}, year = {2025}, month = {JUN}, pages = {613{\textendash}617}, type = {Article}, doi = {10.1107/S2056989025004992}, author = {Khojabaeva, Gulnaz and Torambetov, Batirbay and Gonnade, Rajesh G. and Uzakbergenova, Zamira and Rasulov, Abdusamat and Kadirova, Shakhnoza} } @article {49720, title = {Synthesis, crystal structure, DFT calculation and catalytic activity of a polymer complex of zinc(II) succinate with 2-amino-1,3,4-thiadiazole}, journal = {Journal of Molecular Structure}, volume = {1338}, year = {2025}, month = {AUG}, pages = {142274}, type = {Article}, abstract = {

A polymer complex of zinc(II) succinate with a 2-amino-1,3,4-thiadialole ligand, denoted as [Zn2L2(suc)2]n, was synthesized and characterized by NMR, ESI-MS, FTIR, and FT-Raman spectroscopy, TGA, and X-ray crystallography. The polymer complex crystallizes in the orthorhombic noncentrosymmetric Pna21 space group and features a five-coordinate zinc ion in a distorted spherical square pyramidal geometry. The Hirshfeld surface analysis was carried out to evaluate the intermolecular interactions. Additionally, computational studies were also conducted to assess the stability of the Zn polymer complex and analyze the electron density distribution of the HOMO and LUMO. The catalytic activity of our complex was tested, interestingly, that showed good results for Biginelli reactions with distinct substrate scope in good to high yield at mild reaction conditions.

}, keywords = {DFT, Dihydropyrimidinones, Polymer complex, succinate, Thiadiazole, zinc}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2025.142274}, author = {Nuralieva, Guzal and Alieva, Mushtariy and Torambetov, Batirbay and Leslee, Denzil Britto Christopher and Senthilkumar, Beeran and Kaur, Simranjeet and Dabke, Niteen B. and Vanka, Kumar and Ashurov, Jamshid and Kadirova, Shakhnoza and Gonnade, Rajesh G.} } @article {49988, title = {Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetra-aqua-bis-{2-[(5-methyl-1,3,4-thia-diazol-2-yl)sulfan-yl]acetato-κO}cobalt(II)}, journal = {Acta Crystallographica Section E Crystallographic Communications}, volume = {81}, year = {2025}, month = {JAN}, pages = {63{\textendash}68}, type = {Article}, abstract = {

A relatively strong hydrogen bond between one of the water mol-ecules and the non-coordinating carboxyl-ate O atom consolidates the conformation. In the crystal, inter-molecular hydrogen bonds lead to the formation of a complex tri-periodic structure. Hirshfeld surface analysis revealed that 30.1\% of the inter-molecular inter-actions are from H...H contacts and 20.8\% are from N...H/H...N contacts. DFT calculations were performed to assess the stability and chemical reactivity of the compound by determining the energy differences between the HOMO and LUMO.

}, doi = {10.1107/S2056989024011939}, author = {Kinshakova, Ekaterina and Torambetov, Batirbay and Kaur, Simranjeet and Ashurov, Jamshid and Kadirova, Shakhnoza} } @article {49443, title = {Synthesis framework for designing PtPdCoNiMn high-entropy alloy: a stable electrocatalyst for enhanced alkaline hydrogen evolution reaction}, journal = {Small}, volume = {21}, year = {2025}, month = {JAN}, type = {Article}, abstract = {

High entropy alloys (HEAs) are an emerging class of advanced materials characterized by their multifunctionality and potential to replace commercial catalysts in electrocatalytic water splitting. The synergy among the various alloyed elements in HEAs makes them particularly promising for applications in electrocatalysis. However, preparation of HEA via bottom-up approaches by avoiding the formation of mono, di, and tri metallic alloys in the nanoscale is challenging. This aspect is addressed, in this study by exploring the logical selection of solvents, reducing agents, and capping agents, along with their relative fractions, in the solvothermal synthesis of the HEA comprising platinum-palladium-cobalt-nickel-manganese (PtPdCoNiMn). It is established that the reducing capabilities of both the solvent and reducing agent are crucial for the reduction of each metal to form a single-phase HEA. The synthesized HEA (20 wt.\%)/functionalized carbon (FC) demonstrates excellent performance as an HER catalyst, exhibiting a low overpotential of 48.7 mV at -10 mA cm-2 in an alkaline electrolyte. This performance is characterized by high reaction kinetics and stability at elevated current densities. Furthermore, the catalyst shows impressive performance in both simulated and actual seawater. This development reduces the reliance on platinum while enhancing the long-term durability and catalytic efficiency of the electrocatalyst.

}, keywords = {electrocatalysts, HER, high entropy alloys, solvothermal synthesis}, issn = {1613-6810}, doi = {10.1002/smll.202408317}, author = {Chandran, M. Athira and Sahoo, Sudeshna and Singh, Ashutosh K. and Prasad, Bhagavatula L. V.} } @article {49856, title = {Synthesis of 5-hydroxymethylfurfural from glucose using a tert-butoxyapatite catalyst}, journal = {DALTON TRANSACTIONS}, volume = {54}, year = {2025}, month = {SEP}, pages = {13574-13587}, type = {Article}, abstract = {

In this study, 5-hydroxymethylfurfural (5-HMF) was obtained from glucose using tert-butoxyapatite, a heterogeneous catalyst. The tert-butoxyapatite catalyst was prepared and characterized by several techniques, such as XRD, SEM, TEM, EDS, elemental mapping HR-TEM, N2-adsorption/desorption, XPS, and FT-IR. Several parameters were studied, such as temperature, catalyst loading, and glucose concentration. The tert-butoxyapatite catalyst having both acidic and basic sites gave a maximum glucose conversion of 87\% with a 48\% yield of HMF at 160 degrees C using 20 wt\% catalyst in 12 h. Reusability studies of the catalyst are also presented.

}, issn = {1477-9226}, doi = {10.1039/d5dt01450f}, author = {Kulkarni, Hemant S. and Kamble, Paresh A. and Vinod, Chathakudath P. and Rathod, Virendra K. and Kantam, Mannepalli Lakshmi} } @article {49991, title = {Synthesis of amine-loaded styrene{\textendash}divinylbenzene copolymers for carbon dioxide capture}, journal = {ACS Engineering Au}, volume = {6}, year = {2025}, month = {NOV}, pages = {126{\textendash}141}, type = {Article}, abstract = {

Carbon dioxide capture by various tertiary amines and quaternary bulky ammonium salts loaded in cross-link hybrid polymer (styrene{\textendash}divinylbenzene copolymer) was explored. These polymeric materials were prepared by suspension polymerization in one pot using monomers like styrene and divinylbenzene in the presence of various amines to obtain uniform spherical beads. The homopolymer was separated from the cross-link hybrid product by Soxhlet extraction. The synthetic strategy is cost-effective and user-friendly, can be easily scaled up for production, and confirms better mechanical strength. The amine-loaded microporous polymeric spheres displayed a microsphere size of 5.2 nm with a high surface area of \~{}25{\textendash}310 m2\ g{\textendash}1. These hydrophobic polymeric spherical beads were thermally stable up to 200 {\textdegree}C. The quaternary ammonium group salt (bulky)-loaded beads presented high carbon dioxide uptake (up to \~{}16.4 wt \% at 273 K /1.0 bar) due to the presence of lone pair electrons of the heteroatom, which might improve the interaction between the polymeric matrices and CO2\ molecules through local-dipole/quadruple interactions. In the case of tertiary amines, a high uptake of carbon dioxide (up to \~{}15.2 wt \% at 273 K /1.0 bar) was achieved, which is attributed to the formation of bicarbonate, as there may be the possibility of the presence of little moisture in the system, which facilitates the interaction. These hybrid polymeric materials exhibited a better storage capacity of CO2.

}, doi = {https://doi.org/10.1021/acsengineeringau.5c00082}, author = {Nande, Smita S. and Garnaik, Baijayantimala} } @article {49836, title = {Synthesis of benzannulated [5,6] oxa-fused/spiro-lactones via [4+2] cycloaddition with quinone methides: new insights into deconjugated butenolide reactivity}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2025}, month = {OCT}, pages = {15185-15190}, type = {Article}, abstract = {

In this study, we unfold a Lewis-acid-catalyzed inverse electron demand hetero Diels-Alder (IEDHDA) [4 + 2] reaction, leveraging the unique beta-selective nucleophilicity of deconjugate lactone in conjunction with quinone methides for the synthesis of polycyclic fused and spiro acetals in a one-pot process. This cascade annulation reaction efficiently generates 3/4 chiral centers with high diastereoselectivity. The developed methodology proceeds under mild reaction conditions and exhibits a broad substrate scope for fused and spiro acetal formation.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5c01468}, author = {Kumar, Manish and Kale, Someshwar B. and Jawahar, Subramani and Barkade, Apurva D. and Das, Utpal} } @article {49683, title = {Synthesis of diamido N-heterocyclic imines (DAC = NH) via staudinger or reductive N-N bond cleavage approach}, journal = {Organometallics}, volume = {44}, year = {2025}, month = {MAY}, pages = {1129-1133}, type = {Article}, abstract = {

This report communicates the first examples of N-heterocyclic imines based on electrophilic diamido carbenes (DACs). While 2 is prepared by classical Staudinger synthesis, 4 is obtained via an unusual reductive N-N bond cleavage of an azine by HCl. The exocyclic C=N bond lengths in 2 and 4 are substantially shorter than those based on N-heterocyclic carbenes and cyclic (alkyl)(amino)carbene reflecting the electrophilic character of DACs.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.5c00120}, author = {Balayan, Kajal and Sharma, Himanshu and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {49696, title = {Synthesis of glycolic acid from glyoxal by using hydrotalcite catalyst and kinetic studies}, journal = {ChemCatChem}, volume = {17}, year = {2025}, month = {JUN}, type = {Article}, abstract = {

In this work, Mg-Al hydrotalcite catalysts with different molar ratios were prepared using the co-precipitation method for the synthesis of glycolic acid (GA) from glyoxal. Various reaction parameters such as catalyst molar ratio, time, temperature, catalyst loading, and catalyst poisoning were studied and optimized for better conversion of glyoxal selectively to glycolic acid. Hydrotalcite catalyst with a 2:1 molar ratio of Mg: Al gives 98\% conversion of glyoxal with 96\% selectivity of glycolic acid at 100 degrees C temperature, 40\% catalyst loading, and water as solvent in 8 h. Different characterization methods were used such as XRD, XPS, SEM-EDX, nitrogen adsorption desorption, and CO2-TPD for hydrotalcite catalyst. A kinetic study was also performed to observe the reaction order and activation energy required for the reaction.

}, keywords = {Glycolic acid, Glyoxal, hydrotalcite, kinetics}, issn = {1867-3880}, doi = {10.1002/cctc.202500321}, author = {Pandya, Harmitkumar N. and Kamble, Paresh A. and Vinod, Chathakudath P. and Rathod, Virendra and Kantam, Mannepalli Lakshmi} } @article {49547, title = {Synthesis of isatins via oxone{\textregistered} /TBAI-mediated on-water oxidation of indoles}, journal = {Synthesis-Stuttgart}, volume = {57}, year = {2025}, month = {MAY}, pages = {1583-1591}, type = {Article}, abstract = {

Isatins and their derivatives are important scaffolds in a wide range of pharmaceuticals, bioactive compounds, and functional materials. Herein we describe a new strategy for the synthesis of isatins from indoles via Oxone (R)/TBAI-mediated oxidative dearomatization of indoles in water. The strategy works well with a variety of N-protected indoles and azaindoles.

}, keywords = {dearomatization, indoles, isatins, Oxidation, Water}, issn = {0039-7881}, doi = {10.1055/a-2492-3240}, author = {Khajuria, Pratiksha and Bag, Debojyoti and Sawant, Sanghapal D.} } @article {49773, title = {Synthesis of Pd-integrated carbon Dot@TiO2 thin film for photocatalytic glycerol reforming reaction for producing hydrogen}, journal = {Chemistry-an Asian Journal}, volume = {20}, year = {2025}, month = {NOV}, type = {Article}, abstract = {

A series of thin-film photocatalysts comprising TiO2 modified with carbon dots (CDs) dispersed either with palladium (Pd-CD/TiO2) or nickel (Ni-CD/TiO2) were synthesized via solid-state and wet-impregnation methods. Morphological characterization (HR-TEM, SEM-EDS) confirmed the anatase phase of TiO2 and the atomic dispersion of metal-integrated CDs on its surface. UV-vis DRS and XPS analyses revealed a marginal red shift in band-gap and the presence of sp2-hybridized graphitic carbon, and metal-carbon interactions, indicating enhanced light absorption and charge separation through Schottky junctions. Under direct sunlight illumination, Pd-CD/TiO2 thin film exhibited superior hydrogen yield (1167 mu mol g-1 h-1) and maintained stability over 25 h, outperforming Ni-CD/TiO2 (494 mu mol g-1 h-1) and bare TiO2 (166 mu mol g-1 h-1) photocatalyst thin films. Concurrent glycerol oxidation at neutral pH (pH similar to 7) yields glycolaldehyde (41\% selectivity), formic acid, and dihydroxyacetone as value-added products. Enhanced photocurrent density and lower impedance of Pd-CD/TiO2 corroborate improved charge carrier separation and dynamics. The results demonstrate that Pd-CD synergistically improves the photocatalytic performance of the Pd-CD/TiO2 for sustainable hydrogen generation and selective biomass valorization.

}, keywords = {Glycerol oxidation, Graphitic carbon dots, hydrogen production, Photocatalysis, titania}, issn = {1861-4728}, doi = {10.1002/asia.202500757}, author = {Abraham, Athira and Salgaonkar, Kranti N. and Nivedhitha, Thazhath R. and Ekal, Vishal Ashok and Kondhekar, Deepali and Chakraborty, Shubhankar and Gopinath, Chinnakonda S. and Saha, Avishek} } @article {49854, title = {Synthesis of Readily Modifiable Amides from Aldehydes via an Organocatalytic Approach Using a CTAB Surfactant}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2025}, month = {AUG }, pages = {11288-11300}, type = {Article}, abstract = {

A simple and efficient organocatalytic method has been developed to access {\textquoteleft}{\textquoteleft}readily modifiable{\textquoteright}{\textquoteright} amides, including bench-stable N-acyl saccharin and various activated amides, from aldehydes by using CTAB- t BuOOH. A wide range of aromatic and aliphatic acyl saccharin are obtained from their respective aldehydes with moderate to good yields. The approach can be similarly applied toward the formation of N-acyl imidazole, N-acyl benzimidazole, N-methoxy-N-methylamide (Weinreb amide), N-ethyl-N-phenylbenzamide, N-acyl morpholine, N-acyl valerolactam, and N-acyl caprolactam. These compounds are frequently applied as reagents in organic transformations, including acyl coupling, decarbonylative coupling, radical coupling, and coupling that is free from transition metals, enabling the synthesis of new C-C, C-N, C-O, C-S, C-P, and C-B bonds.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5c01290}, author = {Akhade, Akshay M. and Rokade, Avinash D. and Handore, Kishor L.} } @article {50023, title = {Selection of tubular reactor configurations for a confined space: analysis of space-fillingness and performance}, journal = {Industrial \& Engineering Chemistry Research}, volume = {65}, year = {2026}, month = {MAR}, pages = {5239-5258}, type = {Article}, abstract = {

Introducing bends or coiling in a tubular reactor promotes Dean vortices, which enhance radial mixing as well as heat and mass transfer. Exploring compact geometries that strengthen curvature-induced mixing is highly beneficial for continuous flow synthesis across scales. Despite their advantages, selecting an appropriate configuration of tubular reactors in a given space (jacket) requires careful evaluation of multiple factors, including energy efficiency, dispersion behavior, heat transfer performance, and spatial compactness. This paper presents a holistic framework for selecting an optimal configuration of a tubular reactor within a confinement (jacket) based on energy efficiency, dispersion behavior, heat transfer, and spatial compactness. Ten distinct configurations are explored based on geometrical characterization and single-phase Computational Fluid Dynamics (CFD) simulations. Each configuration is evaluated for flow patterns, pressure drop, residence time distribution (RTD), and jacket-side flow distribution. The results demonstrate that geometric design, especially the number and arrangement of bends, has a pronounced impact on reactor performance, influencing both compactness and dispersion characteristics. A combined qualitative-quantitative assessment is employed, utilizing radar plots (which capture key simulation and geometric data) and a K-means clustering unsupervised learning algorithm, along with a derived performance index (Pi), to rank configurations based on their geometric attributes. This approach forms a robust basis for selection and design guidance. The study indicates that while individual designs offer specific advantages, coil geometries such as multihelix, spiral, and elongated spirals deliver optimal overall performance.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5c05380}, author = {Mali, Chaitanya R. and Kulkarni, Amol A.} } @article {49835, title = {Self-healing hydrogel electrolyte enabled by dynamic polar covalent and noncovalent interactions for high-performance rechargeable zinc-metal batteries: a leap toward sustainable energy storage}, journal = {Advanced Energy Materials}, volume = {16}, year = {2026}, month = {JAN}, type = {Article}, abstract = {

Hydrogel polymer electrolytes with superior multifunctional properties are promising alternatives to aqueous electrolytes for resolving interfacial issues in rechargeable zinc-metal batteries. In this study, an intrinsic self-healing hydrogel polymer electrolyte (PHBC-4) is synthesized, engineered through an integrated approach involving the polar covalent (B \& horbar;O bond), hydrogen-bond (polyvinyl alcohol-hydroxypropyl methylcellulose interface), and coordination-type (Zn \& horbar;O) interactions to enable self-healing functionality. The PHBC-4 has demonstrated high ionic conductivity (4.6 x 10-2 S cm-1), good oxidative stability (2.3 V vs Zn|Zn2+), a high cation transference number (0.89), superior tensile strength (0.32 MPa), and an impressive healing efficiency of 93\% achieved just within 5 min, confirming its robust self-healing capability. In Zn||Zn symmetric cells, it effectively suppresses dendrite growth, ensuring stable cycling for over 1032 h with an areal capacity of 1.0 mAh cm-2 at a current density of 1.0 mA cm-2. When paired with a Zn-doped MnO cathode in the rechargeable homemade pouch cell, the system delivers a high specific capacity of 160 mAh g-1 at 0.10 A g-1 and cycling stability up to 493 charge-discharge cycles at 2.0 A g-1. The self-healing ability of PHBC-4 HGPE is confirmed in a homemade pouch cell via OCV and charge-discharge tests, demonstrating stable performance. The DFT studies confirm molecular-level interactions within the hydrogel heterostructure.

}, keywords = {dendrite inhibition, flexible rechargeable zinc metal battery, high cation transference number, self-healing hydrogel polymer electrolyte}, issn = {1614-6832}, doi = {10.1002/aenm.202502883}, author = {Puthiyaveetil, Priyanka Pandinhare and Kurian, Rachna Maria and Samudre, Nikhil S. and Balasubramanian, Rajalakshmi and Torris, Arun and Pockil, Fayis Kanheeram and Bhat, Suresh and Ajithkumar, T. G. and Krishnamurty, Sailaja and Kurungot, Sreekumar} } @article {49946, title = {Self-powered photodetection in AgBiS2 nanocrystals synthesized from AgBi-mixed-metal thiolate}, journal = {ACS Applied Nano Materials}, volume = {9}, year = {2026}, month = {JAN}, pages = {448-456}, type = {Article}, abstract = {

AgBiS2 has emerged as a promising optoelectronic material owing to its high absorption coefficient, environmentally friendly and abundant components, offering a sustainable alternative to lead- and cadmium-based chalcogenides. Realizing the full potential of AgBiS2 devices, however, requires scalable synthesis routes that include development of suitable precursors and minimize the use of harsh solvents, elevated temperatures, inert environments, etc. Here, we present a facile, solvent-free synthesis of phase pure AgBiS2 nanocrystals (NCs) at room temperature and under ambient conditions, enabled by the AgBi mixed-metal thiolate (AgBi-MMT) precursor complex. The initial choice of metal salts determines the nature of the metal thiolate intermediate complex, which subsequently influences the quality of the resulting AgBiS2 NCs. As a single-source precursor of the metals, AgBi-MMT enables controlled release of Ag+ and Bi3+ ions, yielding phase-pure AgBiS2 NCs. Furthermore, the MMT that is derived from AgI and BiI3 precursors promotes in situ surface passivation of the AgBiS2 NCs by iodide ions by trapping molecular I2 within its matrix. Under illumination, these iodide ions undergo reversible migration, generating a built-in potential and enabling self-powered photodetection in devices prepared from the as-synthesized NCs. This work expands the synthesis methodology of AgBiS2, highlighting the importance of metal thiolates as precursors in nanomaterial syntheses, and influence of iodine species in photo-operational devices.

}, keywords = {built-in potential, iodine, ion migration, layered, quantum dots}, doi = {10.1021/acsanm.5c04724}, author = {Das, Mouli and Swathi, S. P. and Prasad, Bhagavatula L. V.} } @article {50049, title = {Simple two-step gelation process to strengthen 3D printed carboxy methyl cellulose gels}, journal = {Cellulose}, volume = {33}, year = {2026}, month = {MAR}, pages = {2015-2030}, type = {Article}, abstract = {

Carboxymethyl cellulose (CMC) is a water-soluble cellulose ether that is widely utilized in hydrogel applications due to its exceptional water absorption and biocompatibility. This study reports a simple two step strategy to make mechanically robust CMC gels without any additional chemical crosslinkers and how it could be leveraged to strengthen 3D printed CMC gels. These hydrogels, prepared through acid-induced gelation followed by freeze-thawing, exhibited a compressive modulus of 12.4 +/- 0.92 kPa and a compressive strength of 491.0 +/- 18.1 kPa. They could be leveraged for strengthening 3D printing hydrogels of intricate shapes by direct ink writing. Small amplitude oscillatory shear (SAOS) tests indicated an order of magnitude higher storage modulus for freeze-thawed gels (FC) as compared to only acid-induced CMC gels (HCMC). Nonetheless, stress relaxation experiments revealed that FC, as well as HCMC gels, relax at similar time scales. FC gels exhibited clear birefringence under crossed polarizers, indicating molecular ordering that is consistent with the presence of ordered/crystalline domains. Such ordered domains likely contribute to the higher elastic modulus and compressive strength observed in FC gels as compared to HCMC gels.

}, keywords = {3D printing, Carboxymethyl cellulose, cellulose, Gels}, issn = {0969-0239}, doi = {10.1007/s10570-026-06963-y}, author = {Rajput, Tejas and Sathe, Asmi and Gopal, Animesh and Sharma, Aakash and Shanmuganathan, Kadhiravan} } @article {50029, title = {Solvent-assisted chemical recycling of polycarbonate using glycerol as a renewable chemical: mechanistic insights and statistical optimization}, journal = {Process Safety and Environmental Protection}, volume = {209}, year = {2026}, month = {MAR}, pages = {108592}, type = {Article}, abstract = {

The rapid accumulation of polycarbonate (PC) waste has driven the development of efficient recycling methods. This study presents a comprehensive investigation of solvent-assisted chemical recycling of PC using glycerol, a renewable chemical derived from industrial waste streams. Solvent screening highlighted the critical influence of solvent properties such as dielectric constant, dipole moment and hydrogen-bond accepting ability on depolymerization efficiency. A systematic approach combining Design of Experiments (DoE) and Response Surface Methodology (RSM) was employed to optimize the depolymerization process. Using a Box-Behnken design (BBD), the effects of key process parameters, including temperature, reaction time and the glycerol (GLY:PC) and dimethylformamide (DMF:PC) weight ratios, were evaluated in terms of PC conversion and bisphenol A (BPA) yield. The optimization model predicted that a reaction temperature of 171 degrees C, a reaction time of 1 h and a PC: GLY:DMF ratio of 1:5.05:7.22 would yield 100 \% PC conversion and 85 \% BPA yield. Experimental validation under these conditions achieved 100 \% PC conversion and 83 \% BPA yield, confirming the reliability of the model. Product characterization using NMR, LC-HRMS and FTIR confirmed the purity of BPA and provided insights into the reaction mechanism. The solvent recyclability across successive reaction cycles demonstrated the environmental and economic viability of the process. Overall, the energy demand calculation based on the environmental energy impact factor (xi) highlights the industrial relevance of this work and demonstrate an efficient and environmentally friendly catalyst-free route for depolymerization of polycarbonate with strong potential for industrial implementation.

}, keywords = {Chemical Recycling, Glycerol, Polycarbonate, Response surface methodology}, issn = {0957-5820}, doi = {10.1016/j.psep.2026.108592}, author = {Markandeya, Nishant and Jadhav, Mayur and Gopale, Prafulla and Ramalingam, Karthick and Kamble, Sanjay} } @article {50033, title = {Specificity and promiscuity of phosphoinositide lipid interactions with the serotonin1A receptor: insights from submillisecond coarse-grain simulations}, journal = {ACS Chemical Neuroscience}, volume = {17}, year = {2026}, month = {MAR}, pages = {1104-1114}, type = {Article}, abstract = {

G protein-coupled receptors (GPCRs) are lipid-dependent membrane receptors that serve as important cell signaling hubs. Phosphoinositide (PIP) lipids represent an important class of anionic lipids that play vital roles in neuronal function and signaling. PIP lipids have been reported to modulate GPCR function, although the specificity and molecular details of the interactions are still not clear. An important GPCR in this context is the serotonin(1A) receptor, a neurotransmitter GPCR, which has been reported to interact with phosphatidylinositol 4-phosphate (PIP1) lipids. In this work, we computationally analyzed the specificity of the serotonin(1A) receptor-PIP lipid interactions using coarse-grain molecular dynamics simulations. Our results predict that four anionic lipid sites are present at the receptor surface, although the relative populations are dependent on the lipid type. PIP1 lipids exhibit the highest interaction at a charged cleft formed by transmembrane helices VI and VII. We observed electrostatic interactions at a cluster of charged residues (Arg341, Lys342, Lys345) and hydrophobic and aromatic interactions at residue Ile349 and Tyr402. In contrast, phosphatidylinositol 4,5-bisphosphate (PIP2) and phosphatidylinositol 3,4,5-trisphosphate (PIP3) lipids interact more with transmembrane helix IV. We observed that anionic phospholipids such as phosphatidylserine (PS) interact at these sites, although their occupancy at these sites is much reduced. By elucidating the molecular determinants of these interactions in silico, this study generates novel, testable hypotheses regarding the functional role of specific lipid-receptor contacts. Our work constitutes an important step in analyzing molecular signatures of phosphoinositide lipid-GPCR interactions in the overall context of diverse roles of phosphoinositides in neuronal function and signaling.

}, keywords = {anionic lipids, Cholesterol, GPCR, MARTINIcoarse-grain simulations, PIP lipids, serotonin(1A) receptor}, issn = {1948-7193}, doi = {10.1021/acschemneuro.5c00455}, author = {Nikte, Siddhanta V. and Sengupta, Durba and Chattopadhyay, Amitabha} } @article {49958, title = {Structural characterisation, anticancer properties, and BSA binding of 2,6-dipyrazinylpyridines: Insights from experiment and theory}, journal = {Journal of Molecular Structure}, volume = {1351}, year = {2026}, month = {FEB }, pages = {144225}, type = {Article}, abstract = {

The phenyl-(2,6-di-2-pyrazinyl)pyridine derivatives (L1, L2) were synthesized using a one-pot Krohnke-type method, starting from 2-acetylpyrazine and substituted benzaldehydes. Their structures were characterized using a combination of spectroscopic (NMR, HRMS) and single-crystal X-ray diffraction techniques, complemented by density functional theory (DFT). Single-crystal X-ray diffraction reveals that L1 crystallizes in the C2/c space group (T = 296 K) with its supramolecular assembly being stabilized by C-H \& ctdot;N and pi-pi stacking interactions, whereas L2 facilitates C-H \& ctdot;N, N-H \& ctdot;pi bifurcated, and pi-pi* interactions. The bio-interaction properties of L1 were studied using fluorescence spectroscopy with bovine serum albumin (BSA) as a model protein. Fluorescence studies demonstrated L1 induces static quenching of BSA, with a binding constant of 5.15 x 104 mol \& sdot;dm-3. Synchronous and three-dimensional fluorescence spectra further demonstrated that L1 brings forth significant conformational changes in BSA. The compounds were evaluated for cytotoxicity against the HCT-116 human colorectal cancer cell line.

}, keywords = {2, 6-dipyrazinylpyridines, Bovine serum albumin interaction, Cytotoxicity (HCT-116 cells), Density functional theory, Halogenated derivatives, Single-crystal X-ray diffraction}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2025.144225}, author = {Enumula, Sreenivasulu and Shaikh, Javed and Shaikh, Amin and Sheikh, Kounsar N. and Tambe, Pranav and Lande, Dipali N. and Gejji, Shridhar P. and Shaligram, Parth and Gonnade, Rajesh and Bhadbhade, Mohan and Ahmed, Khursheed} } @article {50035, title = {Sustainable nanocellulose extraction from salacca zalacca peel using chlorine-free and low-acid treatments}, journal = {ACS Omega}, volume = {11}, year = {2026}, month = {MAR}, pages = {13253-13267}, type = {Article}, abstract = {

Conversion of agro-waste to value-added products is one of the important principles of a green circular economy. A novel sustainable technique has been reported by using chlorine-free extraction of cellulose nanofibers (CNFs) from the peels of Salacca zalacca, a common fruit found in Asia. The fruit peels were exposed to alkali treatment using 2\% NaOH (60 degrees C, 2 h), chlorine-free bleaching using 15\% hydrogen peroxide (60 degrees C, 2 h), and sulfuric acid hydrolysis (15\% v/v) for the extraction of CNFs. Various analytical methods were employed to characterize the prepared CNFs. The Fourier transform infrared spectroscopy (FTIR) and 13C solid state nuclear magnetic resonance (NMR) spectra showed the complete elimination of lignin and hemicellulose in the prepared CNFs. The elemental composition and high purity of CNFs were further verified by energy-dispersive X-ray analysis (EDX). The scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images proved the fibrous morphology of the prepared CNFs, and the diameters of the cellulose nanofibers were found to be 15-30 nm. The X-ray diffraction (XRD) studies disclosed the type-I cellulosic structure in the prepared CNFs with a high crystallinity index (73\%). The thermogravimetric analysis (TGA) demonstrated the superior thermal stability of the prepared CNFs (T max is 350 degrees C) compared to the raw fiber (T max is 320 degrees C). Based on the obtained results, it has been explored that the extracted highly pure CNFs can be used for fabricating bionanocomposites for high performance applications, including food packaging, sensors, water treatment, green tires, etc.

}, issn = {2470-1343}, doi = {10.1021/acsomega.5c09694}, author = {Krishnan, Akhil and Paul, Sharon and Phiri, Resego and Srisuk, Rapeeporn and Kumar Singh, Manoj and Palaniappan, Sathish Kumar and Rangappa, Sanjay Mavinkere and Dominic, C. D. Midhun and Ajithkumar, Thalasseril G. and Siengchin, Suchart} } @article {50030, title = {Switchable solid-state emission in GFP chromophore analogue cocrystals via competing AIE and ACQ pathways}, journal = {CrystEngComm}, volume = {28}, year = {2026}, month = {MAR}, pages = {1775-1780}, type = {Article}, abstract = {

We present a crystal-engineering approach enabling switchable solid-state emission (green -\> orange -\> quenched) in GFP-chromophore analogue cocrystals. The coformer{\textquoteright}s electronic and supramolecular effect shifts the photophysical pathway: intramolecular CT in cocrystal-I (green) and cocrystal-III (quenched) and intermolecular CT in cocrystal-II, yielding orange emissions and highlighting cocrystallization{\textquoteright}s power for tunable luminophores.

}, doi = {10.1039/d6ce00041j}, author = {Mali, Bhupendra P. and Dabke, Niteen B. and Sharma, Himanshu and Dash, Soumya Ranjan and Manoj, Kochunnoonny and Vanka, Kumar and Gonnade, Rajesh G.} } @article {49811, title = {Synthesis of Core-Shell ETS-4@LSX zeolite composite to enhance CO2/N2 selectivity in flue gas separation}, journal = {Microporous and Mesoporous Materials}, volume = {399}, year = {2026}, month = {JAN }, pages = {113840}, type = {Article}, abstract = {

The selective removal of CO2 from the flue gas remains a quite challenging due to the weak selectivity of CO2/N2 in adsorbents. Therefore, it is necessary to design an effective sorbent to improve its selectivity. This work attempts to synthesis of novel core-shell ETS-4@LSX composite via a seed-assisted hydrothermal method. In this composite structure, a small pore titanosilcate ETS-4 as a core, while a large pore aluminosilicate LSX forms the outer shell. The effects of ETS-4 seed loading (1-5 wt.\%) and crystallization time on the formation and structural integrity of the core-shell architecture was systematically investigated. The structural and physicochemical properties of samples were characterized by XRD, FE-SEM, HR-TEM, EDS, FT-IR, TGA, N2 adsorption-desorption, and pore size distribution. From XRD pattern and FE-SEM results confirmed that the composite synthesized with 2 wt\% ETS-4 seed and 3 h crystallization time has pure phase of ETS-4@LSX structure. HR-TEM imaging revealed uniform growth of LSX over the ETS-4 surface, resulting in the formation of a continuous shell. The 2 wt\% ETS4@LSX composite demonstrated an outstanding CO2/N2 equilibrium selectivity of 81.4 at 1 bar and 303 K with five and seven times higher than that of pure LSX and ETS-4, respectively. At 20 bar, the composite achieved a CO2 uptake of 5.25 mmol g- 1 and an N2 uptake of 0.50 mmol g- 1. Dynamic adsorption study exhibited the 2 wt\% ETS-4@LSX has 3.52 mmol g- 1 CO2 sorption capacity and N2 uptake capacity of 0.26 mmol g- 1. The enhanced adsorption capacity and selectivity of ETS-4@LSX are attributed to its dual-pore structure, highlighting its potential as an effective adsorbent for CO2 capture from flue gas.

}, keywords = {Adsorption, Core-shell composite, Dual-pore structure, ETS-4, Flue gas, LSX}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2025.113840}, author = {Birje, Amit R. and Shrotri, Aadesh R. and Nandanwar, Sachin U.} }